Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:13:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ge2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 29 8 1891 833 128 Max 52 30 9 1896 844 133 Sum 2469 1433 413 90867 40163 6235 bravais-lattice index = 14 lattice parameter (alat) = 10.3417 a.u. unit-cell volume = 921.5757 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.341707 celldm(2)= 1.000000 celldm(3)= 0.932281 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448601 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448601 0.893732 0.000000 ) a(3) = ( 0.000000 0.000000 0.932281 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501942 -0.000000 ) b(2) = ( 0.000000 1.118904 -0.000000 ) b(3) = ( 0.000000 0.000000 1.072637 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4661407 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090832 0.0147224 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181663 0.0294448 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272495 0.0441672 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363327 0.0588897 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454159 0.0736121 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0544990 0.0883345 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0635822 0.1030569 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0726654 0.1177793 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817485 0.1325018 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908317 0.1472242 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999149 0.1619466 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1089980 0.1766690 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1180812 0.1913914 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1271644 0.2061138 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1362476 0.2208363 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453307 0.2355587 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544139 0.2502811 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1634971 0.2650035 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1725802 0.2797259 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1816634 0.2944484 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1907466 0.3091708 -0.0000000), wk = 0.0028249 k( 23) = ( 0.1998298 0.3238932 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2089129 0.3386156 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2179961 0.3533380 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2270793 0.3680604 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2361624 0.3827829 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2452456 0.3975053 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2543288 0.4122277 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2634120 0.4269501 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2724951 0.4416725 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2815783 0.4563950 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2906615 0.4711174 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2997446 0.4858398 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3088278 0.5005622 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3179110 0.5152846 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3269941 0.5300070 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3360773 0.5447295 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3451605 0.5594519 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3451605 0.5594519 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3279025 0.5594519 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3106444 0.5594519 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2933864 0.5594519 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2761284 0.5594519 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2588704 0.5594519 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416124 0.5594519 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2243543 0.5594519 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2070963 0.5594519 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898383 0.5594519 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1725802 0.5594519 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1553222 0.5594519 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1380642 0.5594519 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208062 0.5594519 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035482 0.5594519 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0862901 0.5594519 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690321 0.5594519 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517741 0.5594519 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345160 0.5594519 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172580 0.5594519 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5594519 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5594519 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5594519 0.0173006), wk = 0.0028249 k( 63) = ( 0.0000000 0.5594519 0.0346012), wk = 0.0028249 k( 64) = ( 0.0000000 0.5594519 0.0519018), wk = 0.0028249 k( 65) = ( 0.0000000 0.5594519 0.0692024), wk = 0.0028249 k( 66) = ( 0.0000000 0.5594519 0.0865030), wk = 0.0028249 k( 67) = ( 0.0000000 0.5594519 0.1038036), wk = 0.0028249 k( 68) = ( 0.0000000 0.5594519 0.1211042), wk = 0.0028249 k( 69) = ( 0.0000000 0.5594519 0.1384048), wk = 0.0028249 k( 70) = ( 0.0000000 0.5594519 0.1557054), wk = 0.0028249 k( 71) = ( 0.0000000 0.5594519 0.1730060), wk = 0.0028249 k( 72) = ( 0.0000000 0.5594519 0.1903066), wk = 0.0028249 k( 73) = ( 0.0000000 0.5594519 0.2076072), wk = 0.0028249 k( 74) = ( 0.0000000 0.5594519 0.2249078), wk = 0.0028249 k( 75) = ( 0.0000000 0.5594519 0.2422084), wk = 0.0028249 k( 76) = ( 0.0000000 0.5594519 0.2595091), wk = 0.0028249 k( 77) = ( 0.0000000 0.5594519 0.2768097), wk = 0.0028249 k( 78) = ( 0.0000000 0.5594519 0.2941103), wk = 0.0028249 k( 79) = ( 0.0000000 0.5594519 0.3114109), wk = 0.0028249 k( 80) = ( 0.0000000 0.5594519 0.3287115), wk = 0.0028249 k( 81) = ( 0.0000000 0.5594519 0.3460121), wk = 0.0028249 k( 82) = ( 0.0000000 0.5594519 0.3633127), wk = 0.0028249 k( 83) = ( 0.0000000 0.5594519 0.3806133), wk = 0.0028249 k( 84) = ( 0.0000000 0.5594519 0.3979139), wk = 0.0028249 k( 85) = ( 0.0000000 0.5594519 0.4152145), wk = 0.0028249 k( 86) = ( 0.0000000 0.5594519 0.4325151), wk = 0.0028249 k( 87) = ( 0.0000000 0.5594519 0.4498157), wk = 0.0028249 k( 88) = ( 0.0000000 0.5594519 0.4671163), wk = 0.0028249 k( 89) = ( 0.0000000 0.5594519 0.4844169), wk = 0.0028249 k( 90) = ( 0.0000000 0.5594519 0.5017175), wk = 0.0028249 k( 91) = ( 0.0000000 0.5594519 0.5190181), wk = 0.0028249 k( 92) = ( 0.0000000 0.5594519 0.5363187), wk = 0.0028249 k( 93) = ( 0.0000000 0.5594519 0.5363187), wk = 0.0028249 k( 94) = ( 0.0172580 0.5594519 0.5363187), wk = 0.0028249 k( 95) = ( 0.0345160 0.5594519 0.5363187), wk = 0.0028249 k( 96) = ( 0.0517741 0.5594519 0.5363187), wk = 0.0028249 k( 97) = ( 0.0690321 0.5594519 0.5363187), wk = 0.0028249 k( 98) = ( 0.0862901 0.5594519 0.5363187), wk = 0.0028249 k( 99) = ( 0.1035482 0.5594519 0.5363187), wk = 0.0028249 k( 100) = ( 0.1208062 0.5594519 0.5363187), wk = 0.0028249 k( 101) = ( 0.1380642 0.5594519 0.5363187), wk = 0.0028249 k( 102) = ( 0.1553222 0.5594519 0.5363187), wk = 0.0028249 k( 103) = ( 0.1725802 0.5594519 0.5363187), wk = 0.0028249 k( 104) = ( 0.1898383 0.5594519 0.5363187), wk = 0.0028249 k( 105) = ( 0.2070963 0.5594519 0.5363187), wk = 0.0028249 k( 106) = ( 0.2243543 0.5594519 0.5363187), wk = 0.0028249 k( 107) = ( 0.2416124 0.5594519 0.5363187), wk = 0.0028249 k( 108) = ( 0.2588704 0.5594519 0.5363187), wk = 0.0028249 k( 109) = ( 0.2761284 0.5594519 0.5363187), wk = 0.0028249 k( 110) = ( 0.2933864 0.5594519 0.5363187), wk = 0.0028249 k( 111) = ( 0.3106444 0.5594519 0.5363187), wk = 0.0028249 k( 112) = ( 0.3279025 0.5594519 0.5363187), wk = 0.0028249 k( 113) = ( 0.3451605 0.5594519 0.5363187), wk = 0.0028249 k( 114) = ( 0.3451605 0.5594519 0.5363187), wk = 0.0028249 k( 115) = ( 0.3360773 0.5447295 0.5363187), wk = 0.0028249 k( 116) = ( 0.3269941 0.5300070 0.5363187), wk = 0.0028249 k( 117) = ( 0.3179110 0.5152846 0.5363187), wk = 0.0028249 k( 118) = ( 0.3088278 0.5005622 0.5363187), wk = 0.0028249 k( 119) = ( 0.2997446 0.4858398 0.5363187), wk = 0.0028249 k( 120) = ( 0.2906615 0.4711174 0.5363187), wk = 0.0028249 k( 121) = ( 0.2815783 0.4563950 0.5363187), wk = 0.0028249 k( 122) = ( 0.2724951 0.4416725 0.5363187), wk = 0.0028249 k( 123) = ( 0.2634120 0.4269501 0.5363187), wk = 0.0028249 k( 124) = ( 0.2543288 0.4122277 0.5363187), wk = 0.0028249 k( 125) = ( 0.2452456 0.3975053 0.5363187), wk = 0.0028249 k( 126) = ( 0.2361624 0.3827829 0.5363187), wk = 0.0028249 k( 127) = ( 0.2270793 0.3680604 0.5363187), wk = 0.0028249 k( 128) = ( 0.2179961 0.3533380 0.5363187), wk = 0.0028249 k( 129) = ( 0.2089129 0.3386156 0.5363187), wk = 0.0028249 k( 130) = ( 0.1998298 0.3238932 0.5363187), wk = 0.0028249 k( 131) = ( 0.1907466 0.3091708 0.5363187), wk = 0.0028249 k( 132) = ( 0.1816634 0.2944484 0.5363187), wk = 0.0028249 k( 133) = ( 0.1725802 0.2797259 0.5363187), wk = 0.0028249 k( 134) = ( 0.1634971 0.2650035 0.5363187), wk = 0.0028249 k( 135) = ( 0.1544139 0.2502811 0.5363187), wk = 0.0028249 k( 136) = ( 0.1453307 0.2355587 0.5363187), wk = 0.0028249 k( 137) = ( 0.1362476 0.2208363 0.5363187), wk = 0.0028249 k( 138) = ( 0.1271644 0.2061138 0.5363187), wk = 0.0028249 k( 139) = ( 0.1180812 0.1913914 0.5363187), wk = 0.0028249 k( 140) = ( 0.1089980 0.1766690 0.5363187), wk = 0.0028249 k( 141) = ( 0.0999149 0.1619466 0.5363187), wk = 0.0028249 k( 142) = ( 0.0908317 0.1472242 0.5363187), wk = 0.0028249 k( 143) = ( 0.0817485 0.1325018 0.5363187), wk = 0.0028249 k( 144) = ( 0.0726654 0.1177793 0.5363187), wk = 0.0028249 k( 145) = ( 0.0635822 0.1030569 0.5363187), wk = 0.0028249 k( 146) = ( 0.0544990 0.0883345 0.5363187), wk = 0.0028249 k( 147) = ( 0.0454159 0.0736121 0.5363187), wk = 0.0028249 k( 148) = ( 0.0363327 0.0588897 0.5363187), wk = 0.0028249 k( 149) = ( 0.0272495 0.0441672 0.5363187), wk = 0.0028249 k( 150) = ( 0.0181663 0.0294448 0.5363187), wk = 0.0028249 k( 151) = ( 0.0090832 0.0147224 0.5363187), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5363187), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5363187), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5190181), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5017175), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4844169), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4671163), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4498157), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4325151), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.4152145), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3979139), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3806133), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3633127), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3460121), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3287115), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.3114109), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2941103), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2768097), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2595091), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2422084), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2249078), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.2076072), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1903066), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1730060), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1557054), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1384048), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1211042), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.1038036), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0865030), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0692024), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0519018), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0346012), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0173006), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0090730 -0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0181459 -0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0272189 -0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0362919 -0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0453648 -0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0544378 -0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.0635108 -0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.0725838 -0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.0816567 -0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.0907297 -0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.0998027 -0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1088756 -0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1179486 -0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.1270216 -0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.1360945 -0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.1451675 -0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.1542405 -0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.1633134 -0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.1723864 -0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.1814594 -0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.1905323 -0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.1996053 -0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.2086783 -0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.2177513 -0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.2268242 -0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.2358972 -0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.2449702 -0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.2540431 -0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.2631161 -0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.2721891 -0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.2812620 -0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.2903350 -0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.2994080 -0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.3084809 -0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.3084809 -0.0000000), wk = 0.0028249 k( 221) = ( -0.4908918 0.3232439 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4817836 0.3380069 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4726754 0.3527699 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635672 0.3675329 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544590 0.3822959 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4453508 0.3970589 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4362426 0.4118219 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271343 0.4265849 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180261 0.4413479 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4089179 0.4561109 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998097 0.4708739 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3907015 0.4856369 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3815933 0.5003999 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3724851 0.5151629 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3633769 0.5299259 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3542687 0.5446889 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3451605 0.5594519 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3451605 0.5594519 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3451605 0.5594519 0.0173006), wk = 0.0028249 k( 240) = ( -0.3451605 0.5594519 0.0346012), wk = 0.0028249 k( 241) = ( -0.3451605 0.5594519 0.0519018), wk = 0.0028249 k( 242) = ( -0.3451605 0.5594519 0.0692024), wk = 0.0028249 k( 243) = ( -0.3451605 0.5594519 0.0865030), wk = 0.0028249 k( 244) = ( -0.3451605 0.5594519 0.1038036), wk = 0.0028249 k( 245) = ( -0.3451605 0.5594519 0.1211042), wk = 0.0028249 k( 246) = ( -0.3451605 0.5594519 0.1384048), wk = 0.0028249 k( 247) = ( -0.3451605 0.5594519 0.1557054), wk = 0.0028249 k( 248) = ( -0.3451605 0.5594519 0.1730060), wk = 0.0028249 k( 249) = ( -0.3451605 0.5594519 0.1903066), wk = 0.0028249 k( 250) = ( -0.3451605 0.5594519 0.2076072), wk = 0.0028249 k( 251) = ( -0.3451605 0.5594519 0.2249078), wk = 0.0028249 k( 252) = ( -0.3451605 0.5594519 0.2422084), wk = 0.0028249 k( 253) = ( -0.3451605 0.5594519 0.2595091), wk = 0.0028249 k( 254) = ( -0.3451605 0.5594519 0.2768097), wk = 0.0028249 k( 255) = ( -0.3451605 0.5594519 0.2941103), wk = 0.0028249 k( 256) = ( -0.3451605 0.5594519 0.3114109), wk = 0.0028249 k( 257) = ( -0.3451605 0.5594519 0.3287115), wk = 0.0028249 k( 258) = ( -0.3451605 0.5594519 0.3460121), wk = 0.0028249 k( 259) = ( -0.3451605 0.5594519 0.3633127), wk = 0.0028249 k( 260) = ( -0.3451605 0.5594519 0.3806133), wk = 0.0028249 k( 261) = ( -0.3451605 0.5594519 0.3979139), wk = 0.0028249 k( 262) = ( -0.3451605 0.5594519 0.4152145), wk = 0.0028249 k( 263) = ( -0.3451605 0.5594519 0.4325151), wk = 0.0028249 k( 264) = ( -0.3451605 0.5594519 0.4498157), wk = 0.0028249 k( 265) = ( -0.3451605 0.5594519 0.4671163), wk = 0.0028249 k( 266) = ( -0.3451605 0.5594519 0.4844169), wk = 0.0028249 k( 267) = ( -0.3451605 0.5594519 0.5017175), wk = 0.0028249 k( 268) = ( -0.3451605 0.5594519 0.5190181), wk = 0.0028249 k( 269) = ( -0.3451605 0.5594519 0.5363187), wk = 0.0028249 k( 270) = ( -0.3451605 0.5594519 0.5363187), wk = 0.0028249 k( 271) = ( -0.3542687 0.5446889 0.5363187), wk = 0.0028249 k( 272) = ( -0.3633769 0.5299259 0.5363187), wk = 0.0028249 k( 273) = ( -0.3724851 0.5151629 0.5363187), wk = 0.0028249 k( 274) = ( -0.3815933 0.5003999 0.5363187), wk = 0.0028249 k( 275) = ( -0.3907015 0.4856369 0.5363187), wk = 0.0028249 k( 276) = ( -0.3998097 0.4708739 0.5363187), wk = 0.0028249 k( 277) = ( -0.4089179 0.4561109 0.5363187), wk = 0.0028249 k( 278) = ( -0.4180261 0.4413479 0.5363187), wk = 0.0028249 k( 279) = ( -0.4271343 0.4265849 0.5363187), wk = 0.0028249 k( 280) = ( -0.4362426 0.4118219 0.5363187), wk = 0.0028249 k( 281) = ( -0.4453508 0.3970589 0.5363187), wk = 0.0028249 k( 282) = ( -0.4544590 0.3822959 0.5363187), wk = 0.0028249 k( 283) = ( -0.4635672 0.3675329 0.5363187), wk = 0.0028249 k( 284) = ( -0.4726754 0.3527699 0.5363187), wk = 0.0028249 k( 285) = ( -0.4817836 0.3380069 0.5363187), wk = 0.0028249 k( 286) = ( -0.4908918 0.3232439 0.5363187), wk = 0.0028249 k( 287) = ( -0.5000000 0.3084809 0.5363187), wk = 0.0028249 k( 288) = ( -0.5000000 0.3084809 0.5363187), wk = 0.0028249 k( 289) = ( -0.5000000 0.3084809 0.5190181), wk = 0.0028249 k( 290) = ( -0.5000000 0.3084809 0.5017175), wk = 0.0028249 k( 291) = ( -0.5000000 0.3084809 0.4844169), wk = 0.0028249 k( 292) = ( -0.5000000 0.3084809 0.4671163), wk = 0.0028249 k( 293) = ( -0.5000000 0.3084809 0.4498157), wk = 0.0028249 k( 294) = ( -0.5000000 0.3084809 0.4325151), wk = 0.0028249 k( 295) = ( -0.5000000 0.3084809 0.4152145), wk = 0.0028249 k( 296) = ( -0.5000000 0.3084809 0.3979139), wk = 0.0028249 k( 297) = ( -0.5000000 0.3084809 0.3806133), wk = 0.0028249 k( 298) = ( -0.5000000 0.3084809 0.3633127), wk = 0.0028249 k( 299) = ( -0.5000000 0.3084809 0.3460121), wk = 0.0028249 k( 300) = ( -0.5000000 0.3084809 0.3287115), wk = 0.0028249 k( 301) = ( -0.5000000 0.3084809 0.3114109), wk = 0.0028249 k( 302) = ( -0.5000000 0.3084809 0.2941103), wk = 0.0028249 k( 303) = ( -0.5000000 0.3084809 0.2768097), wk = 0.0028249 k( 304) = ( -0.5000000 0.3084809 0.2595091), wk = 0.0028249 k( 305) = ( -0.5000000 0.3084809 0.2422084), wk = 0.0028249 k( 306) = ( -0.5000000 0.3084809 0.2249078), wk = 0.0028249 k( 307) = ( -0.5000000 0.3084809 0.2076072), wk = 0.0028249 k( 308) = ( -0.5000000 0.3084809 0.1903066), wk = 0.0028249 k( 309) = ( -0.5000000 0.3084809 0.1730060), wk = 0.0028249 k( 310) = ( -0.5000000 0.3084809 0.1557054), wk = 0.0028249 k( 311) = ( -0.5000000 0.3084809 0.1384048), wk = 0.0028249 k( 312) = ( -0.5000000 0.3084809 0.1211042), wk = 0.0028249 k( 313) = ( -0.5000000 0.3084809 0.1038036), wk = 0.0028249 k( 314) = ( -0.5000000 0.3084809 0.0865030), wk = 0.0028249 k( 315) = ( -0.5000000 0.3084809 0.0692024), wk = 0.0028249 k( 316) = ( -0.5000000 0.3084809 0.0519018), wk = 0.0028249 k( 317) = ( -0.5000000 0.3084809 0.0346012), wk = 0.0028249 k( 318) = ( -0.5000000 0.3084809 0.0173006), wk = 0.0028249 k( 319) = ( -0.5000000 0.3084809 -0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5363187), wk = 0.0028249 k( 321) = ( -0.0147059 0.0090730 0.5363187), wk = 0.0028249 k( 322) = ( -0.0294118 0.0181459 0.5363187), wk = 0.0028249 k( 323) = ( -0.0441177 0.0272189 0.5363187), wk = 0.0028249 k( 324) = ( -0.0588235 0.0362919 0.5363187), wk = 0.0028249 k( 325) = ( -0.0735294 0.0453648 0.5363187), wk = 0.0028249 k( 326) = ( -0.0882353 0.0544378 0.5363187), wk = 0.0028249 k( 327) = ( -0.1029412 0.0635108 0.5363187), wk = 0.0028249 k( 328) = ( -0.1176471 0.0725838 0.5363187), wk = 0.0028249 k( 329) = ( -0.1323529 0.0816567 0.5363187), wk = 0.0028249 k( 330) = ( -0.1470588 0.0907297 0.5363187), wk = 0.0028249 k( 331) = ( -0.1617647 0.0998027 0.5363187), wk = 0.0028249 k( 332) = ( -0.1764706 0.1088756 0.5363187), wk = 0.0028249 k( 333) = ( -0.1911765 0.1179486 0.5363187), wk = 0.0028249 k( 334) = ( -0.2058823 0.1270216 0.5363187), wk = 0.0028249 k( 335) = ( -0.2205882 0.1360945 0.5363187), wk = 0.0028249 k( 336) = ( -0.2352941 0.1451675 0.5363187), wk = 0.0028249 k( 337) = ( -0.2500000 0.1542405 0.5363187), wk = 0.0028249 k( 338) = ( -0.2647059 0.1633134 0.5363187), wk = 0.0028249 k( 339) = ( -0.2794118 0.1723864 0.5363187), wk = 0.0028249 k( 340) = ( -0.2941177 0.1814594 0.5363187), wk = 0.0028249 k( 341) = ( -0.3088235 0.1905323 0.5363187), wk = 0.0028249 k( 342) = ( -0.3235294 0.1996053 0.5363187), wk = 0.0028249 k( 343) = ( -0.3382353 0.2086783 0.5363187), wk = 0.0028249 k( 344) = ( -0.3529412 0.2177513 0.5363187), wk = 0.0028249 k( 345) = ( -0.3676471 0.2268242 0.5363187), wk = 0.0028249 k( 346) = ( -0.3823529 0.2358972 0.5363187), wk = 0.0028249 k( 347) = ( -0.3970588 0.2449702 0.5363187), wk = 0.0028249 k( 348) = ( -0.4117647 0.2540431 0.5363187), wk = 0.0028249 k( 349) = ( -0.4264706 0.2631161 0.5363187), wk = 0.0028249 k( 350) = ( -0.4411765 0.2721891 0.5363187), wk = 0.0028249 k( 351) = ( -0.4558823 0.2812620 0.5363187), wk = 0.0028249 k( 352) = ( -0.4705882 0.2903350 0.5363187), wk = 0.0028249 k( 353) = ( -0.4852941 0.2994080 0.5363187), wk = 0.0028249 k( 354) = ( -0.5000000 0.3084809 0.5363187), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090832 0.0090832 0.0000000), wk = 0.0028249 k( 3) = ( 0.0181663 0.0181663 0.0000000), wk = 0.0028249 k( 4) = ( 0.0272495 0.0272495 0.0000000), wk = 0.0028249 k( 5) = ( 0.0363327 0.0363327 0.0000000), wk = 0.0028249 k( 6) = ( 0.0454159 0.0454159 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0544990 0.0544990 0.0000000), wk = 0.0028249 k( 8) = ( 0.0635822 0.0635822 0.0000000), wk = 0.0028249 k( 9) = ( 0.0726654 0.0726654 0.0000000), wk = 0.0028249 k( 10) = ( 0.0817485 0.0817485 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908317 0.0908317 0.0000000), wk = 0.0028249 k( 12) = ( 0.0999149 0.0999149 0.0000000), wk = 0.0028249 k( 13) = ( 0.1089980 0.1089980 0.0000000), wk = 0.0028249 k( 14) = ( 0.1180812 0.1180812 0.0000000), wk = 0.0028249 k( 15) = ( 0.1271644 0.1271644 0.0000000), wk = 0.0028249 k( 16) = ( 0.1362476 0.1362476 0.0000000), wk = 0.0028249 k( 17) = ( 0.1453307 0.1453307 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544139 0.1544139 0.0000000), wk = 0.0028249 k( 19) = ( 0.1634971 0.1634971 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1725802 0.1725802 0.0000000), wk = 0.0028249 k( 21) = ( 0.1816634 0.1816634 0.0000000), wk = 0.0028249 k( 22) = ( 0.1907466 0.1907466 0.0000000), wk = 0.0028249 k( 23) = ( 0.1998298 0.1998298 0.0000000), wk = 0.0028249 k( 24) = ( 0.2089129 0.2089129 0.0000000), wk = 0.0028249 k( 25) = ( 0.2179961 0.2179961 0.0000000), wk = 0.0028249 k( 26) = ( 0.2270793 0.2270793 0.0000000), wk = 0.0028249 k( 27) = ( 0.2361624 0.2361624 0.0000000), wk = 0.0028249 k( 28) = ( 0.2452456 0.2452456 0.0000000), wk = 0.0028249 k( 29) = ( 0.2543288 0.2543288 0.0000000), wk = 0.0028249 k( 30) = ( 0.2634120 0.2634120 0.0000000), wk = 0.0028249 k( 31) = ( 0.2724951 0.2724951 0.0000000), wk = 0.0028249 k( 32) = ( 0.2815783 0.2815783 0.0000000), wk = 0.0028249 k( 33) = ( 0.2906615 0.2906615 0.0000000), wk = 0.0028249 k( 34) = ( 0.2997446 0.2997446 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3088278 0.3088278 0.0000000), wk = 0.0028249 k( 36) = ( 0.3179110 0.3179110 0.0000000), wk = 0.0028249 k( 37) = ( 0.3269941 0.3269941 0.0000000), wk = 0.0028249 k( 38) = ( 0.3360773 0.3360773 0.0000000), wk = 0.0028249 k( 39) = ( 0.3451605 0.3451605 0.0000000), wk = 0.0028249 k( 40) = ( 0.3451605 0.3451605 0.0000000), wk = 0.0028249 k( 41) = ( 0.3279025 0.3529025 0.0000000), wk = 0.0028249 k( 42) = ( 0.3106444 0.3606444 0.0000000), wk = 0.0028249 k( 43) = ( 0.2933864 0.3683864 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2761284 0.3761284 0.0000000), wk = 0.0028249 k( 45) = ( 0.2588704 0.3838704 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416124 0.3916124 0.0000000), wk = 0.0028249 k( 47) = ( 0.2243543 0.3993543 0.0000000), wk = 0.0028249 k( 48) = ( 0.2070963 0.4070963 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898383 0.4148383 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1725802 0.4225802 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1553222 0.4303222 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1380642 0.4380642 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208062 0.4458062 0.0000000), wk = 0.0028249 k( 54) = ( 0.1035482 0.4535481 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0862901 0.4612901 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690321 0.4690321 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517741 0.4767741 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345160 0.4845160 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172580 0.4922580 0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028249 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028249 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028249 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028249 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028249 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028249 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028249 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028249 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028249 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028249 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028249 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028249 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028249 k( 75) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0028249 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028249 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028249 k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028249 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028249 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028249 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028249 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028249 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028249 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028249 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028249 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028249 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028249 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028249 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028249 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028249 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028249 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 94) = ( 0.0172580 0.4922580 0.5000000), wk = 0.0028249 k( 95) = ( 0.0345160 0.4845160 0.5000000), wk = 0.0028249 k( 96) = ( 0.0517741 0.4767741 0.5000000), wk = 0.0028249 k( 97) = ( 0.0690321 0.4690321 0.5000000), wk = 0.0028249 k( 98) = ( 0.0862901 0.4612901 0.5000000), wk = 0.0028249 k( 99) = ( 0.1035482 0.4535481 0.5000000), wk = 0.0028249 k( 100) = ( 0.1208062 0.4458062 0.5000000), wk = 0.0028249 k( 101) = ( 0.1380642 0.4380642 0.5000000), wk = 0.0028249 k( 102) = ( 0.1553222 0.4303222 0.5000000), wk = 0.0028249 k( 103) = ( 0.1725802 0.4225802 0.5000000), wk = 0.0028249 k( 104) = ( 0.1898383 0.4148383 0.5000000), wk = 0.0028249 k( 105) = ( 0.2070963 0.4070963 0.5000000), wk = 0.0028249 k( 106) = ( 0.2243543 0.3993543 0.5000000), wk = 0.0028249 k( 107) = ( 0.2416124 0.3916124 0.5000000), wk = 0.0028249 k( 108) = ( 0.2588704 0.3838704 0.5000000), wk = 0.0028249 k( 109) = ( 0.2761284 0.3761284 0.5000000), wk = 0.0028249 k( 110) = ( 0.2933864 0.3683864 0.5000000), wk = 0.0028249 k( 111) = ( 0.3106444 0.3606444 0.5000000), wk = 0.0028249 k( 112) = ( 0.3279025 0.3529025 0.5000000), wk = 0.0028249 k( 113) = ( 0.3451605 0.3451605 0.5000000), wk = 0.0028249 k( 114) = ( 0.3451605 0.3451605 0.5000000), wk = 0.0028249 k( 115) = ( 0.3360773 0.3360773 0.5000000), wk = 0.0028249 k( 116) = ( 0.3269941 0.3269941 0.5000000), wk = 0.0028249 k( 117) = ( 0.3179110 0.3179110 0.5000000), wk = 0.0028249 k( 118) = ( 0.3088278 0.3088278 0.5000000), wk = 0.0028249 k( 119) = ( 0.2997446 0.2997446 0.5000000), wk = 0.0028249 k( 120) = ( 0.2906615 0.2906615 0.5000000), wk = 0.0028249 k( 121) = ( 0.2815783 0.2815783 0.5000000), wk = 0.0028249 k( 122) = ( 0.2724951 0.2724951 0.5000000), wk = 0.0028249 k( 123) = ( 0.2634120 0.2634120 0.5000000), wk = 0.0028249 k( 124) = ( 0.2543288 0.2543288 0.5000000), wk = 0.0028249 k( 125) = ( 0.2452456 0.2452456 0.5000000), wk = 0.0028249 k( 126) = ( 0.2361624 0.2361624 0.5000000), wk = 0.0028249 k( 127) = ( 0.2270793 0.2270793 0.5000000), wk = 0.0028249 k( 128) = ( 0.2179961 0.2179961 0.5000000), wk = 0.0028249 k( 129) = ( 0.2089129 0.2089129 0.5000000), wk = 0.0028249 k( 130) = ( 0.1998298 0.1998298 0.5000000), wk = 0.0028249 k( 131) = ( 0.1907466 0.1907466 0.5000000), wk = 0.0028249 k( 132) = ( 0.1816634 0.1816634 0.5000000), wk = 0.0028249 k( 133) = ( 0.1725802 0.1725802 0.5000000), wk = 0.0028249 k( 134) = ( 0.1634971 0.1634971 0.5000000), wk = 0.0028249 k( 135) = ( 0.1544139 0.1544139 0.5000000), wk = 0.0028249 k( 136) = ( 0.1453307 0.1453307 0.5000000), wk = 0.0028249 k( 137) = ( 0.1362476 0.1362476 0.5000000), wk = 0.0028249 k( 138) = ( 0.1271644 0.1271644 0.5000000), wk = 0.0028249 k( 139) = ( 0.1180812 0.1180812 0.5000000), wk = 0.0028249 k( 140) = ( 0.1089980 0.1089980 0.5000000), wk = 0.0028249 k( 141) = ( 0.0999149 0.0999149 0.5000000), wk = 0.0028249 k( 142) = ( 0.0908317 0.0908317 0.5000000), wk = 0.0028249 k( 143) = ( 0.0817485 0.0817485 0.5000000), wk = 0.0028249 k( 144) = ( 0.0726654 0.0726654 0.5000000), wk = 0.0028249 k( 145) = ( 0.0635822 0.0635822 0.5000000), wk = 0.0028249 k( 146) = ( 0.0544990 0.0544990 0.5000000), wk = 0.0028249 k( 147) = ( 0.0454159 0.0454159 0.5000000), wk = 0.0028249 k( 148) = ( 0.0363327 0.0363327 0.5000000), wk = 0.0028249 k( 149) = ( 0.0272495 0.0272495 0.5000000), wk = 0.0028249 k( 150) = ( 0.0181663 0.0181663 0.5000000), wk = 0.0028249 k( 151) = ( 0.0090832 0.0090832 0.5000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2741935), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0147059 -0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0441176 -0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0588235 -0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0735294 -0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0882353 -0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.1176471 -0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.1617647 -0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.2058823 -0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.2205882 -0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.2352941 -0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.2794118 -0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.2941176 -0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.3088235 -0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.3382353 -0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.3676471 -0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.3970588 -0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.4117647 -0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.4264706 -0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.4411765 -0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.4558823 -0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.4705882 -0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.4852941 -0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 221) = ( -0.4908918 0.5091082 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4817836 0.5182164 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4726754 0.5273246 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635672 0.5364328 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544590 0.5455410 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4453508 0.5546492 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4362426 0.5637574 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271343 0.5728657 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180261 0.5819739 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4089179 0.5910821 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998097 0.6001903 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3907015 0.6092985 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3815933 0.6184067 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3724851 0.6275149 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3633769 0.6366231 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3542687 0.6457313 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3451605 0.6548395 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3451605 0.6548395 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3451605 0.6548395 0.0161290), wk = 0.0028249 k( 240) = ( -0.3451605 0.6548395 0.0322581), wk = 0.0028249 k( 241) = ( -0.3451605 0.6548395 0.0483871), wk = 0.0028249 k( 242) = ( -0.3451605 0.6548395 0.0645161), wk = 0.0028249 k( 243) = ( -0.3451605 0.6548395 0.0806452), wk = 0.0028249 k( 244) = ( -0.3451605 0.6548395 0.0967742), wk = 0.0028249 k( 245) = ( -0.3451605 0.6548395 0.1129032), wk = 0.0028249 k( 246) = ( -0.3451605 0.6548395 0.1290323), wk = 0.0028249 k( 247) = ( -0.3451605 0.6548395 0.1451613), wk = 0.0028249 k( 248) = ( -0.3451605 0.6548395 0.1612903), wk = 0.0028249 k( 249) = ( -0.3451605 0.6548395 0.1774194), wk = 0.0028249 k( 250) = ( -0.3451605 0.6548395 0.1935484), wk = 0.0028249 k( 251) = ( -0.3451605 0.6548395 0.2096774), wk = 0.0028249 k( 252) = ( -0.3451605 0.6548395 0.2258064), wk = 0.0028249 k( 253) = ( -0.3451605 0.6548395 0.2419355), wk = 0.0028249 k( 254) = ( -0.3451605 0.6548395 0.2580645), wk = 0.0028249 k( 255) = ( -0.3451605 0.6548395 0.2741936), wk = 0.0028249 k( 256) = ( -0.3451605 0.6548395 0.2903226), wk = 0.0028249 k( 257) = ( -0.3451605 0.6548395 0.3064516), wk = 0.0028249 k( 258) = ( -0.3451605 0.6548395 0.3225807), wk = 0.0028249 k( 259) = ( -0.3451605 0.6548395 0.3387097), wk = 0.0028249 k( 260) = ( -0.3451605 0.6548395 0.3548387), wk = 0.0028249 k( 261) = ( -0.3451605 0.6548395 0.3709677), wk = 0.0028249 k( 262) = ( -0.3451605 0.6548395 0.3870968), wk = 0.0028249 k( 263) = ( -0.3451605 0.6548395 0.4032258), wk = 0.0028249 k( 264) = ( -0.3451605 0.6548395 0.4193548), wk = 0.0028249 k( 265) = ( -0.3451605 0.6548395 0.4354839), wk = 0.0028249 k( 266) = ( -0.3451605 0.6548395 0.4516129), wk = 0.0028249 k( 267) = ( -0.3451605 0.6548395 0.4677419), wk = 0.0028249 k( 268) = ( -0.3451605 0.6548395 0.4838710), wk = 0.0028249 k( 269) = ( -0.3451605 0.6548395 0.5000000), wk = 0.0028249 k( 270) = ( -0.3451605 0.6548395 0.5000000), wk = 0.0028249 k( 271) = ( -0.3542687 0.6457313 0.5000000), wk = 0.0028249 k( 272) = ( -0.3633769 0.6366231 0.5000000), wk = 0.0028249 k( 273) = ( -0.3724851 0.6275149 0.5000000), wk = 0.0028249 k( 274) = ( -0.3815933 0.6184067 0.5000000), wk = 0.0028249 k( 275) = ( -0.3907015 0.6092985 0.5000000), wk = 0.0028249 k( 276) = ( -0.3998097 0.6001903 0.5000000), wk = 0.0028249 k( 277) = ( -0.4089179 0.5910821 0.5000000), wk = 0.0028249 k( 278) = ( -0.4180261 0.5819739 0.5000000), wk = 0.0028249 k( 279) = ( -0.4271343 0.5728657 0.5000000), wk = 0.0028249 k( 280) = ( -0.4362426 0.5637574 0.5000000), wk = 0.0028249 k( 281) = ( -0.4453508 0.5546492 0.5000000), wk = 0.0028249 k( 282) = ( -0.4544590 0.5455410 0.5000000), wk = 0.0028249 k( 283) = ( -0.4635672 0.5364328 0.5000000), wk = 0.0028249 k( 284) = ( -0.4726754 0.5273246 0.5000000), wk = 0.0028249 k( 285) = ( -0.4817836 0.5182164 0.5000000), wk = 0.0028249 k( 286) = ( -0.4908918 0.5091082 0.5000000), wk = 0.0028249 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 289) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028249 k( 290) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028249 k( 291) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028249 k( 292) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028249 k( 293) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028249 k( 294) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028249 k( 295) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028249 k( 296) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028249 k( 297) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028249 k( 298) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028249 k( 299) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0028249 k( 300) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028249 k( 301) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028249 k( 302) = ( -0.5000000 0.5000000 0.2741935), wk = 0.0028249 k( 303) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028249 k( 304) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028249 k( 305) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0028249 k( 306) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028249 k( 307) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028249 k( 308) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0028249 k( 309) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028249 k( 310) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028249 k( 311) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028249 k( 312) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028249 k( 313) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028249 k( 314) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028249 k( 315) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028249 k( 316) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028249 k( 317) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028249 k( 318) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028249 k( 319) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 321) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028249 k( 322) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028249 k( 323) = ( -0.0441177 0.0441176 0.5000000), wk = 0.0028249 k( 324) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028249 k( 325) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028249 k( 326) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028249 k( 327) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028249 k( 328) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028249 k( 329) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028249 k( 330) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028249 k( 331) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028249 k( 332) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028249 k( 333) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028249 k( 334) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028249 k( 335) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028249 k( 336) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028249 k( 337) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 338) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028249 k( 339) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028249 k( 340) = ( -0.2941177 0.2941176 0.5000000), wk = 0.0028249 k( 341) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028249 k( 342) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028249 k( 343) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028249 k( 344) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028249 k( 345) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028249 k( 346) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028249 k( 347) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028249 k( 348) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028249 k( 349) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028249 k( 350) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028249 k( 351) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028249 k( 352) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028249 k( 353) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028249 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 90867 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 40163 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 216, 58) NL pseudopotentials 0.23 Mb ( 108, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1893) G-vector shells 0.01 Mb ( 972) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 216, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 48.2 secs Computing kpt #: 4 total cpu time spent up to now is 51.6 secs Computing kpt #: 5 total cpu time spent up to now is 56.1 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.1 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.3 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.4 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.4 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.5 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.7 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.7 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.3 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.2 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.5 secs Computing kpt #: 18 total cpu time spent up to now is 121.1 secs Computing kpt #: 19 total cpu time spent up to now is 123.9 secs Computing kpt #: 20 total cpu time spent up to now is 126.5 secs Computing kpt #: 21 total cpu time spent up to now is 129.6 secs Computing kpt #: 22 total cpu time spent up to now is 132.3 secs Computing kpt #: 23 total cpu time spent up to now is 134.7 secs Computing kpt #: 24 total cpu time spent up to now is 137.1 secs Computing kpt #: 25 total cpu time spent up to now is 139.4 secs Computing kpt #: 26 total cpu time spent up to now is 142.0 secs Computing kpt #: 27 total cpu time spent up to now is 144.3 secs Computing kpt #: 28 total cpu time spent up to now is 146.6 secs Computing kpt #: 29 total cpu time spent up to now is 148.7 secs Computing kpt #: 30 total cpu time spent up to now is 151.0 secs Computing kpt #: 31 total cpu time spent up to now is 153.4 secs Computing kpt #: 32 total cpu time spent up to now is 156.0 secs Computing kpt #: 33 total cpu time spent up to now is 158.5 secs Computing kpt #: 34 total cpu time spent up to now is 160.7 secs Computing kpt #: 35 total cpu time spent up to now is 162.9 secs Computing kpt #: 36 total cpu time spent up to now is 165.0 secs Computing kpt #: 37 total cpu time spent up to now is 167.4 secs Computing kpt #: 38 total cpu time spent up to now is 169.7 secs Computing kpt #: 39 total cpu time spent up to now is 171.8 secs Computing kpt #: 40 total cpu time spent up to now is 174.0 secs Computing kpt #: 41 total cpu time spent up to now is 176.2 secs Computing kpt #: 42 total cpu time spent up to now is 178.5 secs Computing kpt #: 43 total cpu time spent up to now is 180.8 secs Computing kpt #: 44 total cpu time spent up to now is 183.0 secs Computing kpt #: 45 total cpu time spent up to now is 185.1 secs Computing kpt #: 46 total cpu time spent up to now is 187.4 secs Computing kpt #: 47 total cpu time spent up to now is 190.0 secs Computing kpt #: 48 total cpu time spent up to now is 192.7 secs Computing kpt #: 49 total cpu time spent up to now is 195.5 secs Computing kpt #: 50 total cpu time spent up to now is 198.1 secs Computing kpt #: 51 total cpu time spent up to now is 200.5 secs Computing kpt #: 52 total cpu time spent up to now is 202.8 secs Computing kpt #: 53 total cpu time spent up to now is 205.1 secs Computing kpt #: 54 total cpu time spent up to now is 207.6 secs Computing kpt #: 55 total cpu time spent up to now is 210.2 secs Computing kpt #: 56 total cpu time spent up to now is 212.7 secs Computing kpt #: 57 total cpu time spent up to now is 215.2 secs Computing kpt #: 58 total cpu time spent up to now is 217.8 secs Computing kpt #: 59 total cpu time spent up to now is 220.2 secs Computing kpt #: 60 total cpu time spent up to now is 222.4 secs Computing kpt #: 61 total cpu time spent up to now is 224.8 secs Computing kpt #: 62 total cpu time spent up to now is 227.3 secs Computing kpt #: 63 total cpu time spent up to now is 230.4 secs Computing kpt #: 64 total cpu time spent up to now is 233.2 secs Computing kpt #: 65 total cpu time spent up to now is 235.7 secs Computing kpt #: 66 total cpu time spent up to now is 238.5 secs Computing kpt #: 67 total cpu time spent up to now is 241.4 secs Computing kpt #: 68 total cpu time spent up to now is 245.5 secs Computing kpt #: 69 total cpu time spent up to now is 248.9 secs Computing kpt #: 70 total cpu time spent up to now is 252.2 secs Computing kpt #: 71 total cpu time spent up to now is 255.6 secs Computing kpt #: 72 total cpu time spent up to now is 258.9 secs Computing kpt #: 73 total cpu time spent up to now is 262.9 secs Computing kpt #: 74 total cpu time spent up to now is 267.1 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.9 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.2 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.0 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.8 secs Computing kpt #: 79 total cpu time spent up to now is 290.0 secs Computing kpt #: 80 total cpu time spent up to now is 295.1 secs Computing kpt #: 81 total cpu time spent up to now is 298.3 secs Computing kpt #: 82 total cpu time spent up to now is 301.6 secs Computing kpt #: 83 total cpu time spent up to now is 304.5 secs Computing kpt #: 84 total cpu time spent up to now is 307.4 secs Computing kpt #: 85 total cpu time spent up to now is 311.0 secs Computing kpt #: 86 total cpu time spent up to now is 313.7 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.9 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.9 secs Computing kpt #: 89 total cpu time spent up to now is 329.2 secs Computing kpt #: 90 total cpu time spent up to now is 332.4 secs Computing kpt #: 91 total cpu time spent up to now is 335.3 secs Computing kpt #: 92 total cpu time spent up to now is 337.8 secs Computing kpt #: 93 total cpu time spent up to now is 340.4 secs Computing kpt #: 94 total cpu time spent up to now is 343.9 secs Computing kpt #: 95 total cpu time spent up to now is 347.3 secs Computing kpt #: 96 total cpu time spent up to now is 350.8 secs Computing kpt #: 97 total cpu time spent up to now is 353.8 secs Computing kpt #: 98 total cpu time spent up to now is 356.6 secs Computing kpt #: 99 total cpu time spent up to now is 359.3 secs Computing kpt #: 100 total cpu time spent up to now is 362.2 secs Computing kpt #: 101 total cpu time spent up to now is 365.0 secs Computing kpt #: 102 total cpu time spent up to now is 367.7 secs Computing kpt #: 103 total cpu time spent up to now is 370.8 secs Computing kpt #: 104 total cpu time spent up to now is 373.2 secs Computing kpt #: 105 total cpu time spent up to now is 376.0 secs Computing kpt #: 106 total cpu time spent up to now is 378.9 secs Computing kpt #: 107 total cpu time spent up to now is 381.7 secs Computing kpt #: 108 total cpu time spent up to now is 384.4 secs Computing kpt #: 109 total cpu time spent up to now is 387.2 secs Computing kpt #: 110 total cpu time spent up to now is 390.1 secs Computing kpt #: 111 total cpu time spent up to now is 393.0 secs Computing kpt #: 112 total cpu time spent up to now is 396.2 secs Computing kpt #: 113 total cpu time spent up to now is 398.9 secs Computing kpt #: 114 total cpu time spent up to now is 402.3 secs Computing kpt #: 115 total cpu time spent up to now is 406.3 secs Computing kpt #: 116 total cpu time spent up to now is 409.6 secs Computing kpt #: 117 total cpu time spent up to now is 412.2 secs Computing kpt #: 118 total cpu time spent up to now is 415.0 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.7 secs Computing kpt #: 120 total cpu time spent up to now is 423.0 secs Computing kpt #: 121 total cpu time spent up to now is 426.9 secs Computing kpt #: 122 total cpu time spent up to now is 429.8 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.3 secs Computing kpt #: 124 total cpu time spent up to now is 437.9 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.5 secs Computing kpt #: 126 total cpu time spent up to now is 445.3 secs Computing kpt #: 127 total cpu time spent up to now is 447.9 secs Computing kpt #: 128 total cpu time spent up to now is 452.4 secs Computing kpt #: 129 total cpu time spent up to now is 456.2 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 461.2 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.0 secs Computing kpt #: 132 total cpu time spent up to now is 469.2 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 473.7 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 478.2 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.8 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.3 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.0 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.5 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.4 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 506.1 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.8 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.7 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.5 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.3 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 529.9 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 534.9 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 544.7 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.5 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 554.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 559.2 secs Computing kpt #: 152 total cpu time spent up to now is 561.3 secs Computing kpt #: 153 total cpu time spent up to now is 563.8 secs Computing kpt #: 154 total cpu time spent up to now is 566.6 secs Computing kpt #: 155 total cpu time spent up to now is 569.1 secs Computing kpt #: 156 total cpu time spent up to now is 571.3 secs Computing kpt #: 157 total cpu time spent up to now is 573.5 secs Computing kpt #: 158 total cpu time spent up to now is 575.5 secs Computing kpt #: 159 total cpu time spent up to now is 577.9 secs Computing kpt #: 160 total cpu time spent up to now is 579.9 secs Computing kpt #: 161 total cpu time spent up to now is 581.9 secs Computing kpt #: 162 total cpu time spent up to now is 584.0 secs Computing kpt #: 163 total cpu time spent up to now is 586.1 secs Computing kpt #: 164 total cpu time spent up to now is 588.2 secs Computing kpt #: 165 total cpu time spent up to now is 590.6 secs Computing kpt #: 166 total cpu time spent up to now is 592.7 secs Computing kpt #: 167 total cpu time spent up to now is 594.7 secs Computing kpt #: 168 total cpu time spent up to now is 596.7 secs Computing kpt #: 169 total cpu time spent up to now is 598.8 secs Computing kpt #: 170 total cpu time spent up to now is 600.8 secs Computing kpt #: 171 total cpu time spent up to now is 603.0 secs Computing kpt #: 172 total cpu time spent up to now is 605.1 secs Computing kpt #: 173 total cpu time spent up to now is 607.3 secs Computing kpt #: 174 total cpu time spent up to now is 609.4 secs Computing kpt #: 175 total cpu time spent up to now is 611.6 secs Computing kpt #: 176 total cpu time spent up to now is 613.8 secs Computing kpt #: 177 total cpu time spent up to now is 616.5 secs Computing kpt #: 178 total cpu time spent up to now is 619.9 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 625.1 secs Computing kpt #: 180 total cpu time spent up to now is 628.0 secs Computing kpt #: 181 total cpu time spent up to now is 631.3 secs Computing kpt #: 182 total cpu time spent up to now is 634.6 secs Computing kpt #: 183 total cpu time spent up to now is 637.5 secs Computing kpt #: 184 total cpu time spent up to now is 640.8 secs Computing kpt #: 185 total cpu time spent up to now is 644.1 secs Computing kpt #: 186 total cpu time spent up to now is 647.5 secs Computing kpt #: 187 total cpu time spent up to now is 651.7 secs Computing kpt #: 188 total cpu time spent up to now is 656.0 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 661.4 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 666.5 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 671.7 secs Computing kpt #: 192 total cpu time spent up to now is 676.0 secs Computing kpt #: 193 total cpu time spent up to now is 680.0 secs Computing kpt #: 194 total cpu time spent up to now is 683.6 secs Computing kpt #: 195 total cpu time spent up to now is 686.3 secs Computing kpt #: 196 total cpu time spent up to now is 689.1 secs Computing kpt #: 197 total cpu time spent up to now is 691.9 secs Computing kpt #: 198 total cpu time spent up to now is 694.2 secs Computing kpt #: 199 total cpu time spent up to now is 696.7 secs Computing kpt #: 200 total cpu time spent up to now is 699.0 secs Computing kpt #: 201 total cpu time spent up to now is 701.2 secs Computing kpt #: 202 total cpu time spent up to now is 704.3 secs Computing kpt #: 203 total cpu time spent up to now is 706.7 secs Computing kpt #: 204 total cpu time spent up to now is 709.0 secs Computing kpt #: 205 total cpu time spent up to now is 711.5 secs Computing kpt #: 206 total cpu time spent up to now is 714.0 secs Computing kpt #: 207 total cpu time spent up to now is 716.5 secs Computing kpt #: 208 total cpu time spent up to now is 718.9 secs Computing kpt #: 209 total cpu time spent up to now is 721.1 secs Computing kpt #: 210 total cpu time spent up to now is 723.3 secs Computing kpt #: 211 total cpu time spent up to now is 725.5 secs Computing kpt #: 212 total cpu time spent up to now is 728.4 secs Computing kpt #: 213 total cpu time spent up to now is 730.5 secs Computing kpt #: 214 total cpu time spent up to now is 732.7 secs Computing kpt #: 215 total cpu time spent up to now is 734.9 secs Computing kpt #: 216 total cpu time spent up to now is 737.2 secs Computing kpt #: 217 total cpu time spent up to now is 739.7 secs Computing kpt #: 218 total cpu time spent up to now is 742.4 secs Computing kpt #: 219 total cpu time spent up to now is 744.4 secs Computing kpt #: 220 total cpu time spent up to now is 746.5 secs Computing kpt #: 221 total cpu time spent up to now is 748.8 secs Computing kpt #: 222 total cpu time spent up to now is 751.6 secs Computing kpt #: 223 total cpu time spent up to now is 753.7 secs Computing kpt #: 224 total cpu time spent up to now is 755.9 secs Computing kpt #: 225 total cpu time spent up to now is 758.1 secs Computing kpt #: 226 total cpu time spent up to now is 760.8 secs Computing kpt #: 227 total cpu time spent up to now is 763.0 secs Computing kpt #: 228 total cpu time spent up to now is 765.2 secs Computing kpt #: 229 total cpu time spent up to now is 769.1 secs Computing kpt #: 230 total cpu time spent up to now is 772.0 secs Computing kpt #: 231 total cpu time spent up to now is 774.7 secs Computing kpt #: 232 total cpu time spent up to now is 776.9 secs Computing kpt #: 233 total cpu time spent up to now is 779.7 secs Computing kpt #: 234 total cpu time spent up to now is 782.5 secs Computing kpt #: 235 total cpu time spent up to now is 784.7 secs Computing kpt #: 236 total cpu time spent up to now is 787.1 secs Computing kpt #: 237 total cpu time spent up to now is 789.6 secs Computing kpt #: 238 total cpu time spent up to now is 791.7 secs Computing kpt #: 239 total cpu time spent up to now is 793.9 secs Computing kpt #: 240 total cpu time spent up to now is 797.3 secs Computing kpt #: 241 total cpu time spent up to now is 799.9 secs Computing kpt #: 242 total cpu time spent up to now is 802.2 secs Computing kpt #: 243 total cpu time spent up to now is 804.9 secs Computing kpt #: 244 total cpu time spent up to now is 807.8 secs Computing kpt #: 245 total cpu time spent up to now is 810.5 secs Computing kpt #: 246 total cpu time spent up to now is 814.2 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 819.5 secs Computing kpt #: 248 total cpu time spent up to now is 822.2 secs Computing kpt #: 249 total cpu time spent up to now is 825.0 secs Computing kpt #: 250 total cpu time spent up to now is 828.2 secs Computing kpt #: 251 total cpu time spent up to now is 830.7 secs Computing kpt #: 252 total cpu time spent up to now is 834.1 secs Computing kpt #: 253 total cpu time spent up to now is 836.7 secs Computing kpt #: 254 total cpu time spent up to now is 839.3 secs Computing kpt #: 255 total cpu time spent up to now is 841.6 secs Computing kpt #: 256 total cpu time spent up to now is 843.9 secs Computing kpt #: 257 total cpu time spent up to now is 846.3 secs Computing kpt #: 258 total cpu time spent up to now is 848.8 secs Computing kpt #: 259 total cpu time spent up to now is 851.0 secs Computing kpt #: 260 total cpu time spent up to now is 853.2 secs Computing kpt #: 261 total cpu time spent up to now is 855.8 secs Computing kpt #: 262 total cpu time spent up to now is 858.3 secs Computing kpt #: 263 total cpu time spent up to now is 860.7 secs Computing kpt #: 264 total cpu time spent up to now is 863.1 secs Computing kpt #: 265 total cpu time spent up to now is 866.0 secs Computing kpt #: 266 total cpu time spent up to now is 868.5 secs Computing kpt #: 267 total cpu time spent up to now is 871.0 secs Computing kpt #: 268 total cpu time spent up to now is 874.3 secs Computing kpt #: 269 total cpu time spent up to now is 877.1 secs Computing kpt #: 270 total cpu time spent up to now is 879.9 secs Computing kpt #: 271 total cpu time spent up to now is 882.8 secs Computing kpt #: 272 total cpu time spent up to now is 886.7 secs Computing kpt #: 273 total cpu time spent up to now is 890.1 secs Computing kpt #: 274 total cpu time spent up to now is 892.9 secs Computing kpt #: 275 total cpu time spent up to now is 895.9 secs Computing kpt #: 276 total cpu time spent up to now is 899.3 secs Computing kpt #: 277 total cpu time spent up to now is 902.5 secs Computing kpt #: 278 total cpu time spent up to now is 906.5 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 911.1 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 915.8 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 921.6 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 927.1 secs Computing kpt #: 283 total cpu time spent up to now is 930.0 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 934.5 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 939.1 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 943.7 secs Computing kpt #: 287 total cpu time spent up to now is 946.0 secs Computing kpt #: 288 total cpu time spent up to now is 948.0 secs Computing kpt #: 289 total cpu time spent up to now is 950.6 secs Computing kpt #: 290 total cpu time spent up to now is 953.1 secs Computing kpt #: 291 total cpu time spent up to now is 955.2 secs Computing kpt #: 292 total cpu time spent up to now is 957.4 secs Computing kpt #: 293 total cpu time spent up to now is 959.5 secs Computing kpt #: 294 total cpu time spent up to now is 961.6 secs Computing kpt #: 295 total cpu time spent up to now is 963.8 secs Computing kpt #: 296 total cpu time spent up to now is 965.9 secs Computing kpt #: 297 total cpu time spent up to now is 968.0 secs Computing kpt #: 298 total cpu time spent up to now is 970.1 secs Computing kpt #: 299 total cpu time spent up to now is 972.2 secs Computing kpt #: 300 total cpu time spent up to now is 974.2 secs Computing kpt #: 301 total cpu time spent up to now is 976.4 secs Computing kpt #: 302 total cpu time spent up to now is 978.5 secs Computing kpt #: 303 total cpu time spent up to now is 980.5 secs Computing kpt #: 304 total cpu time spent up to now is 982.5 secs Computing kpt #: 305 total cpu time spent up to now is 984.7 secs Computing kpt #: 306 total cpu time spent up to now is 987.1 secs Computing kpt #: 307 total cpu time spent up to now is 989.3 secs Computing kpt #: 308 total cpu time spent up to now is 991.4 secs Computing kpt #: 309 total cpu time spent up to now is 994.6 secs Computing kpt #: 310 total cpu time spent up to now is 997.0 secs Computing kpt #: 311 total cpu time spent up to now is 999.3 secs Computing kpt #: 312 total cpu time spent up to now is 1002.1 secs Computing kpt #: 313 total cpu time spent up to now is 1004.4 secs Computing kpt #: 314 total cpu time spent up to now is 1007.1 secs Computing kpt #: 315 total cpu time spent up to now is 1009.2 secs Computing kpt #: 316 total cpu time spent up to now is 1011.3 secs Computing kpt #: 317 total cpu time spent up to now is 1013.6 secs Computing kpt #: 318 total cpu time spent up to now is 1015.8 secs Computing kpt #: 319 total cpu time spent up to now is 1018.0 secs Computing kpt #: 320 total cpu time spent up to now is 1020.3 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1025.0 secs Computing kpt #: 322 total cpu time spent up to now is 1029.3 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1034.1 secs Computing kpt #: 324 total cpu time spent up to now is 1036.7 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.7 secs Computing kpt #: 326 total cpu time spent up to now is 1045.2 secs Computing kpt #: 327 total cpu time spent up to now is 1049.8 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1054.7 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1059.6 secs Computing kpt #: 330 total cpu time spent up to now is 1064.2 secs Computing kpt #: 331 total cpu time spent up to now is 1068.9 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.6 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.4 secs Computing kpt #: 334 total cpu time spent up to now is 1081.9 secs Computing kpt #: 335 total cpu time spent up to now is 1086.4 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1091.4 secs Computing kpt #: 337 total cpu time spent up to now is 1095.6 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1100.5 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1105.3 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1110.1 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1114.7 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1119.9 secs Computing kpt #: 343 total cpu time spent up to now is 1123.9 secs Computing kpt #: 344 total cpu time spent up to now is 1127.2 secs Computing kpt #: 345 total cpu time spent up to now is 1130.4 secs Computing kpt #: 346 total cpu time spent up to now is 1134.1 secs Computing kpt #: 347 total cpu time spent up to now is 1137.7 secs Computing kpt #: 348 total cpu time spent up to now is 1141.0 secs Computing kpt #: 349 total cpu time spent up to now is 1144.1 secs Computing kpt #: 350 total cpu time spent up to now is 1147.5 secs Computing kpt #: 351 total cpu time spent up to now is 1150.7 secs Computing kpt #: 352 total cpu time spent up to now is 1154.0 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1158.9 secs Computing kpt #: 354 total cpu time spent up to now is 1161.1 secs ethr = 2.08E-11, avg # of iterations = 58.9 total cpu time spent up to now is 1161.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -13.7248 -13.7248 -12.9832 -12.9832 -11.4670 -11.4670 -10.1962 -10.1962 -10.1232 -10.1232 -9.7736 -9.7736 -4.7323 -4.7323 -3.9940 -3.9940 -3.7893 -3.7893 -1.4643 -1.4643 -1.1352 -1.1352 -0.7613 -0.7613 0.0582 0.0582 0.7533 0.7533 1.1075 1.1075 1.6296 1.6296 2.2610 2.2610 2.6664 2.6664 3.1447 3.1447 3.2997 3.2997 3.6201 3.6201 3.6863 3.6863 3.6941 3.6941 3.8520 3.8520 7.2693 7.2693 9.4134 9.4134 9.9235 9.9235 10.5146 10.5146 12.0773 12.0773 k = 0.0091 0.0147-0.0000 ( 5029 PWs) bands (ev): -13.7242 -13.7242 -12.9832 -12.9832 -11.4667 -11.4665 -10.2329 -10.2155 -10.1061 -10.0873 -9.7738 -9.7728 -4.7317 -4.7312 -4.0137 -4.0091 -3.7729 -3.7666 -1.4769 -1.4575 -1.1411 -1.1240 -0.7634 -0.7615 0.0603 0.0628 0.7538 0.7541 1.1050 1.1055 1.6268 1.6277 2.2612 2.2613 2.6642 2.6649 3.1460 3.1462 3.2994 3.2994 3.6195 3.6198 3.6811 3.6842 3.6865 3.6867 3.8584 3.8609 7.2736 7.2737 9.4150 9.4164 9.9235 9.9255 10.5158 10.5163 12.0710 12.0720 k = 0.0182 0.0294-0.0000 ( 5027 PWs) bands (ev): -13.7227 -13.7227 -12.9833 -12.9833 -11.4656 -11.4651 -10.2839 -10.2648 -10.0623 -10.0401 -9.7734 -9.7713 -4.7292 -4.7282 -4.0547 -4.0483 -3.7279 -3.7182 -1.4942 -1.4573 -1.1409 -1.1086 -0.7680 -0.7642 0.0689 0.0739 0.7557 0.7563 1.0980 1.0989 1.6193 1.6211 2.2619 2.2619 2.6586 2.6600 3.1497 3.1502 3.2985 3.2985 3.6174 3.6185 3.6516 3.6561 3.6868 3.6869 3.8758 3.8796 7.2863 7.2866 9.4212 9.4241 9.9255 9.9296 10.5199 10.5209 12.0537 12.0557 k = 0.0272 0.0442-0.0000 ( 5015 PWs) bands (ev): -13.7202 -13.7202 -12.9835 -12.9834 -11.4636 -11.4629 -10.3385 -10.3195 -10.0160 -9.9925 -9.7723 -9.7692 -4.7250 -4.7234 -4.1032 -4.0965 -3.6696 -3.6580 -1.5152 -1.4638 -1.1344 -1.0900 -0.7750 -0.7692 0.0838 0.0912 0.7589 0.7599 1.0864 1.0878 1.6072 1.6099 2.2629 2.2630 2.6498 2.6520 3.1554 3.1563 3.2970 3.2971 3.6034 3.6113 3.6224 3.6231 3.6873 3.6875 3.8972 3.9015 7.3075 7.3078 9.4320 9.4362 9.9296 9.9356 10.5268 10.5285 12.0276 12.0306 k = 0.0363 0.0589-0.0000 ( 5023 PWs) bands (ev): -13.7167 -13.7167 -12.9837 -12.9837 -11.4607 -11.4598 -10.3949 -10.3764 -9.9707 -9.9462 -9.7706 -9.7664 -4.7189 -4.7169 -4.1534 -4.1470 -3.6047 -3.5918 -1.5387 -1.4764 -1.1219 -1.0686 -0.7844 -0.7766 0.1047 0.1146 0.7635 0.7647 1.0703 1.0723 1.5904 1.5940 2.2642 2.2644 2.6384 2.6414 3.1620 3.1635 3.2947 3.2949 3.5604 3.5700 3.6163 3.6172 3.6880 3.6883 3.9185 3.9230 7.3367 7.3371 9.4470 9.4525 9.9358 9.9437 10.5366 10.5388 11.9943 11.9989 k = 0.0454 0.0736-0.0000 ( 5019 PWs) bands (ev): -13.7121 -13.7121 -12.9840 -12.9839 -11.4570 -11.4559 -10.4526 -10.4347 -9.9270 -9.9018 -9.7683 -9.7631 -4.7110 -4.7085 -4.2032 -4.1973 -3.5358 -3.5219 -1.5641 -1.4939 -1.1040 -1.0450 -0.7961 -0.7864 0.1313 0.1434 0.7694 0.7710 1.0499 1.0526 1.5688 1.5734 2.2657 2.2659 2.6250 2.6289 3.1683 3.1706 3.2916 3.2920 3.5112 3.5221 3.6133 3.6138 3.6888 3.6892 3.9383 3.9428 7.3735 7.3740 9.4662 9.4729 9.9440 9.9537 10.5491 10.5519 11.9534 11.9624 k = 0.0545 0.0883-0.0000 ( 5019 PWs) bands (ev): -13.7067 -13.7066 -12.9844 -12.9843 -11.4525 -11.4511 -10.5112 -10.4940 -9.8854 -9.8594 -9.7653 -9.7591 -4.7014 -4.6984 -4.2516 -4.2464 -3.4641 -3.4492 -1.5906 -1.5150 -1.0817 -1.0193 -0.8102 -0.7985 0.1628 0.1772 0.7766 0.7785 1.0253 1.0287 1.5425 1.5481 2.2672 2.2674 2.6102 2.6149 3.1722 3.1760 3.2874 3.2877 3.4614 3.4740 3.6100 3.6104 3.6898 3.6902 3.9561 3.9605 7.4174 7.4181 9.4891 9.4968 9.9543 9.9657 10.5642 10.5676 11.8989 11.9220 k = 0.0636 0.1031-0.0000 ( 5019 PWs) bands (ev): -13.7002 -13.7002 -12.9848 -12.9847 -11.4471 -11.4455 -10.5706 -10.5541 -9.8460 -9.8192 -9.7617 -9.7545 -4.6899 -4.6865 -4.2984 -4.2938 -3.3901 -3.3743 -1.6176 -1.5385 -1.0556 -0.9915 -0.8267 -0.8128 0.1989 0.2154 0.7852 0.7875 0.9966 1.0009 1.5116 1.5181 2.2686 2.2687 2.5945 2.6000 3.1706 3.1766 3.2814 3.2819 3.4150 3.4295 3.6065 3.6067 3.6908 3.6913 3.9717 3.9761 7.4679 7.4687 9.5153 9.5240 9.9667 9.9796 10.5818 10.5859 11.8369 11.8681 k = 0.0727 0.1178-0.0000 ( 5015 PWs) bands (ev): -13.6928 -13.6928 -12.9853 -12.9852 -11.4408 -11.4389 -10.6306 -10.6148 -9.8090 -9.7816 -9.7574 -9.7493 -4.6767 -4.6728 -4.3431 -4.3391 -3.3143 -3.2976 -1.6447 -1.5634 -1.0262 -0.9615 -0.8454 -0.8294 0.2389 0.2573 0.7950 0.7978 0.9641 0.9694 1.4759 1.4833 2.2695 2.2695 2.5784 2.5847 3.1591 3.1679 3.2720 3.2750 3.3783 3.3934 3.6027 3.6027 3.6920 3.6926 3.9855 3.9897 7.5243 7.5252 9.5445 9.5540 9.9812 9.9955 10.6017 10.6065 11.7763 11.8068 k = 0.0817 0.1325-0.0000 ( 5016 PWs) bands (ev): -13.6845 -13.6845 -12.9859 -12.9858 -11.4336 -11.4315 -10.6910 -10.6759 -9.7751 -9.7521 -9.7479 -9.7422 -4.6618 -4.6574 -4.3857 -4.3824 -3.2370 -3.2195 -1.6714 -1.5889 -0.9938 -0.9295 -0.8664 -0.8480 0.2821 0.3024 0.8060 0.8095 0.9279 0.9346 1.4356 1.4438 2.2697 2.2697 2.5623 2.5694 3.1332 3.1438 3.2609 3.2676 3.3560 3.3696 3.5986 3.5986 3.6932 3.6939 3.9976 4.0017 7.5862 7.5871 9.5763 9.5863 9.9978 10.0132 10.6236 10.6293 11.7190 11.7491 k = 0.0908 0.1472-0.0000 ( 5016 PWs) bands (ev): -13.6754 -13.6754 -12.9865 -12.9864 -11.4255 -11.4232 -10.7517 -10.7372 -9.7513 -9.7387 -9.7380 -9.7132 -4.6451 -4.6402 -4.4262 -4.4235 -3.1583 -3.1401 -1.6972 -1.6143 -0.9590 -0.8962 -0.8886 -0.8685 0.3281 0.3500 0.8174 0.8227 0.8883 0.8974 1.3908 1.3996 2.2688 2.2689 2.5467 2.5543 3.0928 3.1030 3.2513 3.2606 3.3468 3.3577 3.5943 3.5945 3.6945 3.6953 4.0083 4.0124 7.6527 7.6538 9.6102 9.6204 10.0164 10.0327 10.6474 10.6539 11.6661 11.6957 k = 0.0999 0.1619-0.0000 ( 5028 PWs) bands (ev): -13.6654 -13.6653 -12.9872 -12.9871 -11.4165 -11.4139 -10.8126 -10.7987 -9.7436 -9.7313 -9.7112 -9.6833 -4.6267 -4.6214 -4.4646 -4.4625 -3.0787 -3.0597 -1.7218 -1.6390 -0.9239 -0.9152 -0.8887 -0.8583 0.3760 0.3994 0.8241 0.8361 0.8468 0.8634 1.3415 1.3508 2.2667 2.2669 2.5317 2.5399 3.0421 3.0509 3.2436 3.2539 3.3453 3.3540 3.5899 3.5902 3.6959 3.6968 4.0178 4.0218 7.7234 7.7246 9.6457 9.6559 10.0370 10.0539 10.6726 10.6801 11.6180 11.6472 k = 0.1090 0.1767-0.0000 ( 5032 PWs) bands (ev): -13.6545 -13.6545 -12.9880 -12.9879 -11.4066 -11.4037 -10.8735 -10.8603 -9.7372 -9.7242 -9.6846 -9.6561 -4.6066 -4.6009 -4.5010 -4.4994 -2.9981 -2.9784 -1.7448 -1.6625 -0.9426 -0.9218 -0.8753 -0.8193 0.4252 0.4499 0.7991 0.7993 0.8545 0.8600 1.2879 1.2975 2.2628 2.2632 2.5177 2.5262 2.9857 2.9930 3.2364 3.2469 3.3478 3.3551 3.5854 3.5859 3.6975 3.6985 4.0264 4.0304 7.7977 7.7989 9.6825 9.6923 10.0596 10.0767 10.6989 10.7074 11.5751 11.6039 k = 0.1181 0.1914-0.0000 ( 5024 PWs) bands (ev): -13.6429 -13.6429 -12.9888 -12.9887 -11.3957 -11.3926 -10.9343 -10.9217 -9.7306 -9.7167 -9.6605 -9.6315 -4.5848 -4.5789 -4.5353 -4.5343 -2.9169 -2.8965 -1.7659 -1.6844 -0.9721 -0.9471 -0.8341 -0.7779 0.4747 0.5008 0.7514 0.7542 0.8728 0.8758 1.2301 1.2398 2.2569 2.2576 2.5048 2.5133 2.9268 2.9329 3.2290 3.2394 3.3521 3.3586 3.5810 3.5816 3.6993 3.7004 4.0341 4.0381 7.8750 7.8762 9.7203 9.7294 10.0839 10.1009 10.7256 10.7352 11.5378 11.5662 k = 0.1272 0.2061-0.0000 ( 5028 PWs) bands (ev): -13.6306 -13.6305 -12.9897 -12.9896 -11.3838 -11.3805 -10.9949 -10.9828 -9.7237 -9.7089 -9.6390 -9.6097 -4.5688 -4.5674 -4.5613 -4.5541 -2.8352 -2.8141 -1.7847 -1.7044 -1.0035 -0.9758 -0.7887 -0.7340 0.5228 0.5510 0.7021 0.7045 0.8935 0.8965 1.1684 1.1778 2.2487 2.2499 2.4931 2.5014 2.8674 2.8726 3.2211 3.2313 3.3570 3.3631 3.5767 3.5775 3.7013 3.7025 4.0411 4.0450 7.9547 7.9559 9.7587 9.7667 10.1098 10.1264 10.7521 10.7628 11.5063 11.5339 k = 0.1362 0.2208-0.0000 ( 5034 PWs) bands (ev): -13.6175 -13.6175 -12.9906 -12.9905 -11.3710 -11.3674 -11.0552 -11.0437 -9.7165 -9.7008 -9.6201 -9.5905 -4.5991 -4.5986 -4.5363 -4.5292 -2.7532 -2.7314 -1.8011 -1.7220 -1.0369 -1.0067 -0.7407 -0.6876 0.5640 0.5990 0.6525 0.6565 0.9169 0.9209 1.1029 1.1118 2.2380 2.2398 2.4824 2.4902 2.8089 2.8134 3.2129 3.2228 3.3619 3.3680 3.5726 3.5735 3.7037 3.7050 4.0472 4.0512 8.0364 8.0376 9.7975 9.8040 10.1370 10.1528 10.7775 10.7892 11.4808 11.4974 k = 0.1453 0.2356-0.0000 ( 5040 PWs) bands (ev): -13.6039 -13.6038 -12.9916 -12.9915 -11.3572 -11.3533 -11.1150 -11.1041 -9.7091 -9.6924 -9.6038 -9.5741 -4.6283 -4.6282 -4.5097 -4.5023 -2.6710 -2.6487 -1.8148 -1.7371 -1.0721 -1.0395 -0.6901 -0.6388 0.5652 0.5942 0.6469 0.6480 0.9436 0.9495 1.0339 1.0419 2.2246 2.2271 2.4725 2.4796 2.7526 2.7564 3.2044 3.2140 3.3665 3.3727 3.5687 3.5697 3.7064 3.7077 4.0525 4.0566 8.1196 8.1208 9.8365 9.8413 10.1652 10.1801 10.8006 10.8133 11.4428 11.4521 k = 0.1544 0.2503-0.0000 ( 5038 PWs) bands (ev): -13.5896 -13.5895 -12.9927 -12.9926 -11.3424 -11.3382 -11.1743 -11.1639 -9.7015 -9.6839 -9.5900 -9.5602 -4.6564 -4.6560 -4.4815 -4.4738 -2.5890 -2.5660 -1.8255 -1.7493 -1.1089 -1.0740 -0.6372 -0.5877 0.5181 0.5372 0.6806 0.6895 0.9621 0.9681 0.9746 0.9827 2.2085 2.2118 2.4629 2.4689 2.6995 2.7025 3.1959 3.2051 3.3705 3.3769 3.5651 3.5662 3.7096 3.7109 4.0568 4.0611 8.2038 8.2050 9.8756 9.8785 10.1942 10.2079 10.8202 10.8335 11.3849 11.3959 k = 0.1635 0.2650-0.0000 ( 5024 PWs) bands (ev): -13.5748 -13.5747 -12.9939 -12.9938 -11.3266 -11.3220 -11.2329 -11.2231 -9.6937 -9.6752 -9.5787 -9.5489 -4.6832 -4.6825 -4.4518 -4.4438 -2.5071 -2.4835 -1.8330 -1.7585 -1.1473 -1.1100 -0.5819 -0.5342 0.4607 0.4773 0.7190 0.7268 0.8880 0.8919 1.0095 1.0211 2.1897 2.1937 2.4530 2.4575 2.6508 2.6528 3.1874 3.1963 3.3738 3.3805 3.5620 3.5631 3.7132 3.7146 4.0601 4.0645 8.2887 8.2898 9.9149 9.9155 10.2236 10.2359 10.8343 10.8477 11.3256 11.3367 k = 0.1726 0.2797-0.0000 ( 5020 PWs) bands (ev): -13.5594 -13.5594 -12.9950 -12.9949 -11.3104 -11.3048 -11.2903 -11.2816 -9.6859 -9.6665 -9.5698 -9.5400 -4.7088 -4.7078 -4.4206 -4.4123 -2.4258 -2.4015 -1.8372 -1.7645 -1.1871 -1.1476 -0.5245 -0.4785 0.3998 0.4150 0.7545 0.7555 0.8126 0.8155 1.0496 1.0646 2.1680 2.1728 2.4416 2.4442 2.6079 2.6085 3.1791 3.1877 3.3763 3.3833 3.5592 3.5604 3.7175 3.7189 4.0621 4.0667 8.3738 8.3748 9.9525 9.9543 10.2532 10.2640 10.8406 10.8533 11.2669 11.2779 k = 0.1817 0.2944-0.0000 ( 5028 PWs) bands (ev): -13.5437 -13.5436 -12.9963 -12.9962 -11.3486 -11.3393 -11.2912 -11.2864 -9.6781 -9.6578 -9.5631 -9.5335 -4.7334 -4.7321 -4.3880 -4.3795 -2.3450 -2.3201 -1.8379 -1.7672 -1.2283 -1.1864 -0.4650 -0.4207 0.3364 0.3505 0.7234 0.7307 0.7863 0.7973 1.0945 1.1127 2.1436 2.1490 2.4278 2.4279 2.5709 2.5720 3.1713 3.1794 3.3780 3.3854 3.5569 3.5581 3.7225 3.7239 4.0628 4.0676 8.4588 8.4597 9.9896 9.9938 10.2826 10.2920 10.8362 10.8473 11.2116 11.2228 k = 0.1907 0.3092-0.0000 ( 5026 PWs) bands (ev): -13.5276 -13.5275 -12.9976 -12.9975 -11.4048 -11.3961 -11.2723 -11.2670 -9.6703 -9.6491 -9.5586 -9.5292 -4.7571 -4.7555 -4.3540 -4.3453 -2.2651 -2.2396 -1.8350 -1.7664 -1.2704 -1.2263 -0.4036 -0.3609 0.2709 0.2836 0.6466 0.6475 0.8134 0.8187 1.1436 1.1649 2.1163 2.1224 2.4081 2.4106 2.5409 2.5440 3.1640 3.1718 3.3789 3.3867 3.5552 3.5564 3.7282 3.7296 4.0620 4.0670 8.5434 8.5441 10.0270 10.0337 10.3117 10.3198 10.8182 10.8266 11.1629 11.1744 k = 0.1998 0.3239-0.0000 ( 5030 PWs) bands (ev): -13.5112 -13.5110 -12.9989 -12.9988 -11.4602 -11.4520 -11.2521 -11.2464 -9.6627 -9.6407 -9.5562 -9.5271 -4.7800 -4.7782 -4.3187 -4.3097 -2.1863 -2.1600 -1.8284 -1.7621 -1.3135 -1.2672 -0.3404 -0.2993 0.2031 0.2140 0.5633 0.5668 0.8366 0.8388 1.1964 1.2201 2.0864 2.0929 2.3854 2.3901 2.5183 2.5231 3.1574 3.1648 3.3788 3.3871 3.5541 3.5552 3.7348 3.7361 4.0595 4.0647 8.6272 8.6277 10.0647 10.0739 10.3405 10.3472 10.7846 10.7900 11.1230 11.1348 k = 0.2089 0.3386-0.0000 ( 5034 PWs) bands (ev): -13.4945 -13.4943 -13.0003 -13.0002 -11.5145 -11.5068 -11.2308 -11.2248 -9.6553 -9.6325 -9.5556 -9.5269 -4.8023 -4.8002 -4.2821 -4.2730 -2.1089 -2.0816 -1.8178 -1.7541 -1.3572 -1.3088 -0.2757 -0.2361 0.1330 0.1415 0.4787 0.4870 0.8563 0.8563 1.2520 1.2776 2.0540 2.0607 2.3617 2.3679 2.5016 2.5076 3.1516 3.1585 3.3779 3.3867 3.5537 3.5547 3.7424 3.7436 4.0553 4.0608 8.7100 8.7102 10.1029 10.1146 10.3688 10.3743 10.7362 10.7388 11.0920 11.1034 k = 0.2180 0.3533-0.0000 ( 5036 PWs) bands (ev): -13.4776 -13.4774 -13.0017 -13.0017 -11.5678 -11.5605 -11.2084 -11.2019 -9.6482 -9.6246 -9.5568 -9.5285 -4.8240 -4.8217 -4.2442 -4.2350 -2.0334 -2.0047 -1.8030 -1.7423 -1.4014 -1.3510 -0.2097 -0.1715 0.0601 0.0658 0.3948 0.4082 0.8711 0.8729 1.3096 1.3367 2.0192 2.0262 2.3385 2.3457 2.4888 2.4955 3.1468 3.1532 3.3762 3.3854 3.5540 3.5548 3.7509 3.7520 4.0493 4.0550 8.7914 8.7914 10.1417 10.1559 10.3966 10.4011 10.6758 10.6765 11.0679 11.0778 k = 0.2271 0.3681-0.0000 ( 5026 PWs) bands (ev): -13.4606 -13.4604 -13.0031 -13.0031 -11.6199 -11.6130 -11.1847 -11.1779 -9.6415 -9.6172 -9.5597 -9.5319 -4.8452 -4.8428 -4.2052 -4.1959 -1.9603 -1.9295 -1.7835 -1.7267 -1.4456 -1.3933 -0.1427 -0.1060 -0.0157 -0.0131 0.3124 0.3311 0.8837 0.8869 1.3687 1.3970 1.9826 1.9896 2.3171 2.3249 2.4783 2.4853 3.1429 3.1488 3.3735 3.3832 3.5552 3.5557 3.7606 3.7616 4.0414 4.0474 8.8709 8.8713 10.1812 10.1978 10.4240 10.4277 10.6066 10.6071 11.0481 11.0558 k = 0.2362 0.3828-0.0000 ( 5026 PWs) bands (ev): -13.4435 -13.4433 -13.0046 -13.0046 -11.6709 -11.6643 -11.1599 -11.1527 -9.6354 -9.6103 -9.5640 -9.5367 -4.8661 -4.8635 -4.1651 -4.1558 -1.8909 -1.8567 -1.7584 -1.7068 -1.4897 -1.4356 -0.0983 -0.0976 -0.0719 -0.0378 0.2323 0.2564 0.8942 0.8984 1.4288 1.4579 1.9444 1.9514 2.2980 2.3062 2.4689 2.4761 3.1400 3.1455 3.3700 3.3802 3.5571 3.5574 3.7714 3.7723 4.0317 4.0379 8.9486 8.9493 10.2215 10.2404 10.4506 10.4540 10.5322 10.5330 11.0307 11.0355 k = 0.2452 0.3975-0.0000 ( 5018 PWs) bands (ev): -13.4264 -13.4262 -13.0061 -13.0061 -11.7205 -11.7143 -11.1340 -11.1264 -9.6298 -9.6041 -9.5697 -9.5429 -4.8867 -4.8839 -4.1240 -4.1147 -1.8276 -1.7872 -1.7255 -1.6818 -1.5331 -1.4775 -0.1834 -0.1794 -0.0062 0.0284 0.1554 0.1845 0.9027 0.9077 1.4894 1.5191 1.9051 1.9120 2.2814 2.2898 2.4601 2.4673 3.1381 3.1432 3.3656 3.3762 3.5599 3.5599 3.7834 3.7842 4.0200 4.0265 9.0242 9.0253 10.2626 10.2838 10.4494 10.4553 10.4802 10.4823 11.0145 11.0159 k = 0.2543 0.4122-0.0000 ( 5018 PWs) bands (ev): -13.4094 -13.4092 -13.0076 -13.0076 -11.7689 -11.7630 -11.1068 -11.0988 -9.6250 -9.5986 -9.5765 -9.5504 -4.9069 -4.9040 -4.0820 -4.0727 -1.7736 -1.7235 -1.6820 -1.6494 -1.5755 -1.5187 -0.2731 -0.2661 0.0531 0.0900 0.0915 0.1191 0.9095 0.9150 1.5503 1.5804 1.8652 1.8720 2.2672 2.2758 2.4514 2.4587 3.1372 3.1419 3.3603 3.3713 3.5633 3.5637 3.7966 3.7973 4.0064 4.0131 9.0975 9.0991 10.3041 10.3276 10.3725 10.3760 10.5061 10.5064 10.9964 10.9989 k = 0.2634 0.4270-0.0000 ( 5012 PWs) bands (ev): -13.3925 -13.3923 -13.0092 -13.0091 -11.8158 -11.8103 -11.0785 -11.0701 -9.6210 -9.5939 -9.5844 -9.5590 -4.9269 -4.9238 -4.0390 -4.0298 -1.7297 -1.6703 -1.6290 -1.6149 -1.6056 -1.5587 -0.3658 -0.3564 0.0051 0.0461 0.1349 0.1643 0.9149 0.9207 1.6112 1.6414 1.8250 1.8317 2.2553 2.2642 2.4427 2.4500 3.1374 3.1416 3.3541 3.3655 3.5677 3.5684 3.8110 3.8117 3.9910 3.9980 9.1684 9.1705 10.2908 10.2946 10.3480 10.3731 10.5319 10.5327 10.9762 10.9834 k = 0.2725 0.4417-0.0000 ( 5018 PWs) bands (ev): -13.3758 -13.3755 -13.0107 -13.0106 -11.8614 -11.8561 -11.0491 -11.0402 -9.6179 -9.5931 -9.5903 -9.5684 -4.9466 -4.9434 -3.9953 -3.9863 -1.6971 -1.6480 -1.6277 -1.5981 -1.5684 -1.5494 -0.4609 -0.4497 -0.0625 -0.0181 0.2012 0.2297 0.9191 0.9249 1.6718 1.7017 1.7849 1.7916 2.2457 2.2547 2.4339 2.4413 3.1385 3.1424 3.3470 3.3588 3.5731 3.5742 3.8267 3.8273 3.9738 3.9810 9.2367 9.2392 10.2102 10.2136 10.3909 10.4184 10.5575 10.5590 10.9542 10.9673 k = 0.2816 0.4564-0.0000 ( 5012 PWs) bands (ev): -13.3593 -13.3590 -13.0122 -13.0121 -11.9054 -11.9005 -11.0184 -11.0091 -9.6159 -9.6025 -9.5877 -9.5787 -4.9660 -4.9628 -3.9509 -3.9420 -1.7072 -1.6364 -1.6360 -1.5878 -1.5072 -1.4895 -0.5578 -0.5454 -0.1283 -0.0808 0.2666 0.2937 0.9227 0.9283 1.7303 1.7466 1.7472 1.7661 2.2380 2.2472 2.4250 2.4324 3.1406 3.1441 3.3391 3.3512 3.5795 3.5810 3.8435 3.8441 3.9550 3.9624 9.3021 9.3052 10.1293 10.1326 10.4347 10.4644 10.5829 10.5852 10.9288 10.9489 k = 0.2907 0.4711-0.0000 ( 5016 PWs) bands (ev): -13.3432 -13.3429 -13.0137 -13.0136 -11.9480 -11.9434 -10.9867 -10.9769 -9.6157 -9.6118 -9.5898 -9.5860 -4.9852 -4.9819 -3.9058 -3.8972 -1.7401 -1.6711 -1.5992 -1.5489 -1.4462 -1.4289 -0.6561 -0.6429 -0.1921 -0.1418 0.3296 0.3548 0.9265 0.9313 1.7050 1.7106 1.7920 1.8222 2.2322 2.2416 2.4161 2.4236 3.1435 3.1467 3.3303 3.3427 3.5871 3.5890 3.8614 3.8621 3.9346 3.9423 9.3647 9.3682 10.0490 10.0521 10.4789 10.5107 10.6081 10.6111 10.8973 10.9245 k = 0.2997 0.4858-0.0000 ( 5024 PWs) bands (ev): -13.3274 -13.3270 -13.0152 -13.0150 -11.9890 -11.9846 -10.9538 -10.9435 -9.6239 -9.6145 -9.6012 -9.5860 -5.0040 -5.0006 -3.8602 -3.8520 -1.7733 -1.7040 -1.5576 -1.5084 -1.3866 -1.3695 -0.7552 -0.7415 -0.2543 -0.2015 0.3887 0.4118 0.9315 0.9351 1.6664 1.6718 1.8504 1.8802 2.2280 2.2375 2.4074 2.4148 3.1472 3.1502 3.3207 3.3333 3.5960 3.5982 3.8803 3.8811 3.9129 3.9207 9.4241 9.4282 9.9696 9.9724 10.5233 10.5571 10.6331 10.6368 10.8571 10.8866 k = 0.3088 0.5006-0.0000 ( 5016 PWs) bands (ev): -13.3120 -13.3116 -13.0166 -13.0164 -12.0284 -12.0243 -10.9198 -10.9091 -9.6347 -9.6163 -9.6130 -9.5872 -5.0224 -5.0191 -3.8142 -3.8063 -1.8045 -1.7344 -1.5136 -1.4660 -1.3286 -1.3118 -0.8546 -0.8409 -0.3150 -0.2602 0.4424 0.4627 0.9392 0.9410 1.6286 1.6338 1.9079 1.9372 2.2252 2.2349 2.3991 2.4064 3.1516 3.1544 3.3103 3.3229 3.6060 3.6087 3.8899 3.8976 3.9001 3.9013 9.4804 9.4850 9.8913 9.8938 10.5674 10.6030 10.6579 10.6620 10.8078 10.8325 k = 0.3179 0.5153-0.0000 ( 5020 PWs) bands (ev): -13.2971 -13.2967 -13.0180 -13.0178 -12.0663 -12.0624 -10.8848 -10.8735 -9.6458 -9.6250 -9.6193 -9.5900 -5.0405 -5.0371 -3.7677 -3.7602 -1.8329 -1.7619 -1.4675 -1.4218 -1.2728 -1.2563 -0.9538 -0.9403 -0.3746 -0.3180 0.4885 0.5056 0.9506 0.9513 1.5918 1.5967 1.9641 1.9929 2.2236 2.2334 2.3913 2.3985 3.1566 3.1594 3.2991 3.3118 3.6175 3.6204 3.8659 3.8740 3.9207 3.9218 9.5334 9.5385 9.8145 9.8167 10.6100 10.6473 10.6824 10.6858 10.7537 10.7706 k = 0.3270 0.5300-0.0000 ( 5026 PWs) bands (ev): -13.2827 -13.2823 -13.0194 -13.0191 -12.1024 -12.0988 -10.8488 -10.8370 -9.6572 -9.6373 -9.6238 -9.5942 -5.0581 -5.0547 -3.7210 -3.7139 -1.8582 -1.7863 -1.4198 -1.3757 -1.2196 -1.2032 -1.0521 -1.0393 -0.4333 -0.3751 0.5249 0.5383 0.9659 0.9696 1.5562 1.5607 2.0189 2.0469 2.2229 2.2326 2.3845 2.3913 3.1621 3.1649 3.2872 3.2997 3.6302 3.6334 3.8410 3.8492 3.9418 3.9430 9.5830 9.5886 9.7394 9.7413 10.6443 10.6828 10.6890 10.6921 10.7242 10.7289 k = 0.3361 0.5447-0.0000 ( 5030 PWs) bands (ev): -13.2688 -13.2684 -13.0206 -13.0204 -12.1369 -12.1335 -10.8118 -10.7995 -9.6685 -9.6496 -9.6299 -9.6002 -5.0752 -5.0719 -3.6740 -3.6674 -1.8802 -1.8075 -1.3709 -1.3280 -1.1743 -1.1561 -1.1434 -1.1341 -0.4913 -0.4318 0.5499 0.5595 0.9883 0.9952 1.5220 1.5260 2.0720 2.0993 2.2227 2.2322 2.3789 2.3854 3.1679 3.1710 3.2748 3.2868 3.6445 3.6479 3.8155 3.8237 3.9632 3.9647 9.6290 9.6351 9.6662 9.6678 10.6152 10.6307 10.7011 10.7168 10.7472 10.7592 k = 0.3452 0.5595-0.0000 ( 5022 PWs) bands (ev): -13.2556 -13.2551 -13.0218 -13.0215 -12.1696 -12.1665 -10.7739 -10.7610 -9.6798 -9.6617 -9.6377 -9.6079 -5.0918 -5.0885 -3.6268 -3.6207 -1.8987 -1.8254 -1.3245 -1.2794 -1.2438 -1.2354 -1.1169 -1.1031 -0.5488 -0.4881 0.5630 0.5692 1.0181 1.0280 1.4891 1.4927 2.1232 2.1496 2.2226 2.2319 2.3751 2.3809 3.1737 3.1775 3.2619 3.2732 3.6601 3.6637 3.7895 3.7977 3.9848 3.9865 9.5950 9.5965 9.6718 9.6780 10.5571 10.5678 10.7329 10.7407 10.7790 10.8016 k = 0.3452 0.5595-0.0000 ( 5022 PWs) bands (ev): -13.2556 -13.2551 -13.0218 -13.0215 -12.1696 -12.1665 -10.7739 -10.7610 -9.6798 -9.6617 -9.6377 -9.6079 -5.0918 -5.0885 -3.6268 -3.6207 -1.8987 -1.8254 -1.3245 -1.2794 -1.2438 -1.2354 -1.1169 -1.1031 -0.5488 -0.4881 0.5630 0.5692 1.0181 1.0280 1.4891 1.4927 2.1232 2.1496 2.2226 2.2319 2.3751 2.3809 3.1737 3.1775 3.2619 3.2732 3.6601 3.6637 3.7895 3.7977 3.9848 3.9865 9.5950 9.5965 9.6718 9.6780 10.5571 10.5678 10.7329 10.7407 10.7790 10.8016 k = 0.3279 0.5595-0.0000 ( 5023 PWs) bands (ev): -13.2627 -13.2623 -13.0219 -13.0216 -12.1511 -12.1479 -10.7944 -10.7818 -9.6740 -9.6555 -9.6332 -9.6035 -5.0825 -5.0792 -3.6531 -3.6468 -1.8902 -1.8173 -1.3519 -1.3106 -1.2074 -1.1991 -1.1295 -1.1066 -0.5161 -0.4561 0.5573 0.5652 1.0002 1.0088 1.5066 1.5109 2.0953 2.1221 2.2236 2.2331 2.3776 2.3838 3.1706 3.1740 3.2686 3.2802 3.6511 3.6545 3.8039 3.8121 3.9735 3.9751 9.6183 9.6196 9.6619 9.6678 10.5875 10.6004 10.7160 10.7290 10.7642 10.7823 k = 0.3106 0.5595-0.0000 ( 5017 PWs) bands (ev): -13.2705 -13.2700 -13.0231 -13.0228 -12.1292 -12.1259 -10.8156 -10.8033 -9.6682 -9.6497 -9.6287 -9.5994 -5.0718 -5.0684 -3.6823 -3.6758 -1.8827 -1.8106 -1.3825 -1.3438 -1.2167 -1.2059 -1.0921 -1.0634 -0.4785 -0.4196 0.5480 0.5579 0.9813 0.9889 1.5252 1.5307 2.0650 2.0919 2.2266 2.2361 2.3819 2.3882 3.1673 3.1706 3.2743 3.2859 3.6419 3.6454 3.8187 3.8267 3.9627 3.9642 9.6031 9.6057 9.6865 9.6910 10.6139 10.6300 10.6993 10.7163 10.7556 10.7750 k = 0.2934 0.5595-0.0000 ( 5019 PWs) bands (ev): -13.2786 -13.2782 -13.0255 -13.0252 -12.1043 -12.1008 -10.8377 -10.8258 -9.6625 -9.6442 -9.6241 -9.5955 -5.0595 -5.0561 -3.7142 -3.7076 -1.8767 -1.8060 -1.4131 -1.3771 -1.2410 -1.2277 -1.0337 -1.0059 -0.4370 -0.3794 0.5357 0.5476 0.9615 0.9683 1.5443 1.5511 2.0331 2.0600 2.2315 2.2411 2.3873 2.3936 3.1639 3.1672 3.2782 3.2896 3.6338 3.6375 3.8320 3.8398 3.9538 3.9550 9.5778 9.5815 9.7174 9.7219 10.6322 10.6488 10.6873 10.7017 10.7568 10.7834 k = 0.2761 0.5595-0.0000 ( 5025 PWs) bands (ev): -13.2870 -13.2866 -13.0288 -13.0285 -12.0766 -12.0729 -10.8607 -10.8491 -9.6570 -9.6390 -9.6195 -9.5918 -5.0457 -5.0423 -3.7486 -3.7420 -1.8727 -1.8040 -1.4440 -1.4110 -1.2636 -1.2460 -0.9739 -0.9473 -0.3924 -0.3362 0.5208 0.5349 0.9407 0.9472 1.5631 1.5710 2.0008 2.0276 2.2383 2.2479 2.3934 2.3997 3.1602 3.1637 3.2797 3.2905 3.6277 3.6317 3.8419 3.8491 3.9486 3.9492 9.5520 9.5564 9.7459 9.7508 10.6381 10.6520 10.6828 10.6870 10.7742 10.8048 k = 0.2589 0.5595-0.0000 ( 5025 PWs) bands (ev): -13.2954 -13.2951 -13.0329 -13.0326 -12.0465 -12.0427 -10.8846 -10.8732 -9.6517 -9.6344 -9.6148 -9.5884 -5.0302 -5.0269 -3.7852 -3.7786 -1.8710 -1.8051 -1.4756 -1.4457 -1.2795 -1.2580 -0.9156 -0.8904 -0.3454 -0.2907 0.5038 0.5202 0.9191 0.9257 1.5801 1.5890 1.9696 1.9960 2.2469 2.2564 2.3999 2.4061 3.1561 3.1600 3.2784 3.2883 3.6240 3.6283 3.8462 3.8523 3.9489 3.9493 9.5274 9.5323 9.7709 9.7762 10.6303 10.6517 10.6734 10.6820 10.8030 10.8340 k = 0.2416 0.5595-0.0000 ( 5029 PWs) bands (ev): -13.3039 -13.3035 -13.0375 -13.0373 -12.0145 -12.0105 -10.9093 -10.8983 -9.6465 -9.6301 -9.6101 -9.5851 -5.0132 -5.0098 -3.8238 -3.8173 -1.8715 -1.8091 -1.5080 -1.4811 -1.2873 -1.2632 -0.8596 -0.8359 -0.2967 -0.2436 0.4852 0.5040 0.8969 0.9040 1.5934 1.6031 1.9417 1.9671 2.2568 2.2664 2.4066 2.4126 3.1513 3.1557 3.2741 3.2829 3.6229 3.6275 3.8442 3.8491 3.9548 3.9563 9.5044 9.5097 9.7921 9.7979 10.6178 10.6444 10.6698 10.6807 10.8342 10.8650 k = 0.2244 0.5595-0.0000 ( 5027 PWs) bands (ev): -13.3121 -13.3118 -13.0425 -13.0423 -11.9808 -11.9766 -10.9349 -10.9242 -9.6415 -9.6263 -9.6054 -9.5821 -4.9945 -4.9912 -3.8641 -3.8577 -1.8741 -1.8156 -1.5409 -1.5165 -1.2875 -1.2621 -0.8063 -0.7842 -0.2470 -0.1956 0.4656 0.4869 0.8745 0.8824 1.6007 1.6107 1.9197 1.9433 2.2680 2.2775 2.4134 2.4191 3.1455 3.1505 3.2674 3.2751 3.6241 3.6288 3.8372 3.8412 3.9655 3.9679 9.4834 9.4888 9.8097 9.8160 10.6049 10.6316 10.6737 10.6814 10.8606 10.8906 k = 0.2071 0.5595-0.0000 ( 5029 PWs) bands (ev): -13.3202 -13.3198 -13.0478 -13.0476 -11.9457 -11.9415 -10.9612 -10.9509 -9.6368 -9.6228 -9.6008 -9.5793 -4.9743 -4.9710 -3.9057 -3.8995 -1.8784 -1.8242 -1.5737 -1.5513 -1.2811 -1.2557 -0.7558 -0.7355 -0.1972 -0.1473 0.4456 0.4693 0.8524 0.8613 1.5990 1.6090 1.9065 1.9272 2.2800 2.2895 2.4200 2.4254 3.1382 3.1438 3.2592 3.2655 3.6271 3.6318 3.8277 3.8311 3.9789 3.9819 9.4644 9.4699 9.8240 9.8305 10.5925 10.6183 10.6809 10.6848 10.8771 10.9038 k = 0.1898 0.5595-0.0000 ( 5030 PWs) bands (ev): -13.3279 -13.3276 -13.0531 -13.0529 -11.9098 -11.9053 -10.9883 -10.9783 -9.6324 -9.6197 -9.5964 -9.5768 -4.9525 -4.9493 -3.9483 -3.9424 -1.8839 -1.8341 -1.6056 -1.5850 -1.2697 -1.2451 -0.7084 -0.6898 -0.1480 -0.0997 0.4256 0.4519 0.8312 0.8413 1.5865 1.5967 1.9036 1.9206 2.2926 2.3021 2.4264 2.4315 3.1289 3.1353 3.2505 3.2554 3.6310 3.6355 3.8174 3.8204 3.9934 3.9966 9.4476 9.4530 9.8352 9.8417 10.5812 10.6057 10.6892 10.6919 10.8836 10.9081 k = 0.1726 0.5595-0.0000 ( 5028 PWs) bands (ev): -13.3351 -13.3349 -13.0583 -13.0581 -11.8732 -11.8686 -11.0160 -11.0064 -9.6282 -9.6169 -9.5921 -9.5745 -4.9293 -4.9262 -3.9916 -3.9860 -1.8900 -1.8447 -1.6361 -1.6171 -1.2545 -1.2312 -0.6640 -0.6472 -0.1004 -0.0537 0.4061 0.4350 0.8116 0.8230 1.5633 1.5742 1.9103 1.9234 2.3055 2.3149 2.4324 2.4373 3.1173 3.1242 3.2424 3.2460 3.6351 3.6392 3.8076 3.8104 4.0080 4.0114 9.4328 9.4380 9.8437 9.8502 10.5710 10.5943 10.6977 10.7032 10.8837 10.9083 k = 0.1553 0.5595-0.0000 ( 5027 PWs) bands (ev): -13.3419 -13.3417 -13.0633 -13.0631 -11.8363 -11.8317 -11.0442 -11.0350 -9.6244 -9.6144 -9.5881 -9.5724 -4.9049 -4.9018 -4.0351 -4.0298 -1.8963 -1.8553 -1.6649 -1.6472 -1.2369 -1.2152 -0.6229 -0.6078 -0.0554 -0.0103 0.3877 0.4189 0.7944 0.8072 1.5317 1.5437 1.9241 1.9337 2.3184 2.3275 2.4382 2.4426 3.1033 3.1106 3.2355 3.2381 3.6383 3.6419 3.7993 3.8019 4.0222 4.0255 9.4200 9.4250 9.8501 9.8562 10.5624 10.5843 10.7074 10.7164 10.8805 10.9063 k = 0.1381 0.5595-0.0000 ( 5026 PWs) bands (ev): -13.3482 -13.3480 -13.0680 -13.0679 -11.7996 -11.7949 -11.0727 -11.0639 -9.6209 -9.6122 -9.5843 -9.5706 -4.8793 -4.8763 -4.0784 -4.0735 -1.9024 -1.8656 -1.6915 -1.6751 -1.2179 -1.1981 -0.5853 -0.5718 -0.0139 0.0295 0.3707 0.4039 0.7807 0.7947 1.4946 1.5075 1.9422 1.9491 2.3310 2.3398 2.4434 2.4475 3.0873 3.0948 3.2302 3.2321 3.6402 3.6431 3.7930 3.7955 4.0356 4.0387 9.4091 9.4138 9.8546 9.8603 10.5553 10.5758 10.7184 10.7307 10.8754 10.9028 k = 0.1208 0.5595-0.0000 ( 5022 PWs) bands (ev): -13.3538 -13.3536 -13.0724 -13.0722 -11.7634 -11.7587 -11.1011 -11.0928 -9.6177 -9.6103 -9.5809 -9.5690 -4.8529 -4.8500 -4.1210 -4.1164 -1.9078 -1.8751 -1.7156 -1.7006 -1.1985 -1.1808 -0.5513 -0.5393 0.0234 0.0647 0.3555 0.3900 0.7714 0.7864 1.4545 1.4679 1.9624 1.9672 2.3430 2.3513 2.4482 2.4519 3.0701 3.0774 3.2265 3.2278 3.6403 3.6425 3.7889 3.7914 4.0478 4.0507 9.4001 9.4044 9.8576 9.8628 10.5499 10.5686 10.7301 10.7456 10.8693 10.8982 k = 0.1035 0.5595-0.0000 ( 5030 PWs) bands (ev): -13.3588 -13.3586 -13.0762 -13.0761 -11.7283 -11.7237 -11.1291 -11.1214 -9.6149 -9.6087 -9.5777 -9.5677 -4.8262 -4.8235 -4.1621 -4.1579 -1.9123 -1.8837 -1.7370 -1.7234 -1.1796 -1.1640 -0.5211 -0.5107 0.0559 0.0947 0.3421 0.3770 0.7673 0.7828 1.4133 1.4269 1.9830 1.9862 2.3541 2.3618 2.4525 2.4558 3.0527 3.0595 3.2240 3.2250 3.6387 3.6403 3.7870 3.7894 4.0587 4.0613 9.3926 9.3965 9.8595 9.8641 10.5460 10.5628 10.7422 10.7607 10.8623 10.8928 k = 0.0863 0.5595-0.0000 ( 5033 PWs) bands (ev): -13.3631 -13.3630 -13.0796 -13.0795 -11.6950 -11.6905 -11.1561 -11.1491 -9.6124 -9.6074 -9.5749 -9.5667 -4.7998 -4.7973 -4.2010 -4.1973 -1.9157 -1.8913 -1.7555 -1.7434 -1.1620 -1.1487 -0.4951 -0.4862 0.0835 0.1191 0.3307 0.3646 0.7687 0.7841 1.3729 1.3860 2.0026 2.0047 2.3642 2.3711 2.4563 2.4590 3.0359 3.0421 3.2225 3.2233 3.6358 3.6370 3.7868 3.7890 4.0682 4.0704 9.3867 9.3900 9.8606 9.8645 10.5436 10.5582 10.7542 10.7756 10.8549 10.8865 k = 0.0690 0.5595-0.0000 ( 5028 PWs) bands (ev): -13.3667 -13.3665 -13.0824 -13.0824 -11.6643 -11.6602 -11.1812 -11.1751 -9.6103 -9.6064 -9.5725 -9.5660 -4.7746 -4.7723 -4.2365 -4.2333 -1.9179 -1.8979 -1.7708 -1.7604 -1.1462 -1.1354 -0.4733 -0.4660 0.1065 0.1378 0.3214 0.3525 0.7752 0.7895 1.3351 1.3473 2.0202 2.0214 2.3729 2.3789 2.4594 2.4617 3.0208 3.0260 3.2217 3.2223 3.6323 3.6332 3.7877 3.7897 4.0762 4.0780 9.3822 9.3849 9.8613 9.8644 10.5424 10.5545 10.7660 10.7899 10.8472 10.8795 k = 0.0518 0.5595-0.0000 ( 5032 PWs) bands (ev): -13.3695 -13.3694 -13.0846 -13.0846 -11.6374 -11.6339 -11.2033 -11.1982 -9.6086 -9.6057 -9.5705 -9.5656 -4.7518 -4.7499 -4.2673 -4.2647 -1.9190 -1.9035 -1.7826 -1.7743 -1.1330 -1.1247 -0.4560 -0.4503 0.1252 0.1510 0.3144 0.3407 0.7852 0.7975 1.3021 1.3125 2.0349 2.0355 2.3802 2.3849 2.4619 2.4637 3.0082 3.0124 3.2214 3.2218 3.6289 3.6295 3.7891 3.7907 4.0825 4.0838 9.3788 9.3809 9.8616 9.8639 10.5422 10.5516 10.7774 10.8031 10.8395 10.8717 k = 0.0345 0.5595-0.0000 ( 5027 PWs) bands (ev): -13.3715 -13.3714 -13.0863 -13.0862 -11.6159 -11.6133 -11.2208 -11.2171 -9.6072 -9.6053 -9.5688 -9.5656 -4.7331 -4.7318 -4.2914 -4.2896 -1.9188 -1.9083 -1.7907 -1.7849 -1.1227 -1.1172 -0.4432 -0.4394 0.1402 0.1588 0.3103 0.3297 0.7964 0.8055 1.2764 1.2841 2.0459 2.0462 2.3858 2.3891 2.4639 2.4650 2.9989 3.0017 3.2213 3.2215 3.6261 3.6265 3.7906 3.7917 4.0871 4.0880 9.3767 9.3781 9.8618 9.8634 10.5428 10.5492 10.7882 10.8136 10.8333 10.8631 k = 0.0173 0.5595-0.0000 ( 5024 PWs) bands (ev): -13.3727 -13.3726 -13.0872 -13.0872 -11.6016 -11.6001 -11.2319 -11.2300 -9.6062 -9.6053 -9.5674 -9.5658 -4.7206 -4.7199 -4.3069 -4.3059 -1.9175 -1.9122 -1.7950 -1.7920 -1.1159 -1.1131 -0.4351 -0.4332 0.1514 0.1613 0.3098 0.3202 0.8060 0.8109 1.2605 1.2646 2.0527 2.0529 2.3896 2.3913 2.4651 2.4657 2.9933 2.9948 3.2213 3.2214 3.6242 3.6245 3.7918 3.7923 4.0900 4.0904 9.3756 9.3763 9.8621 9.8628 10.5439 10.5472 10.7983 10.8148 10.8352 10.8539 k = 0.0000 0.5595-0.0000 ( 5026 PWs) bands (ev): -13.3731 -13.3731 -13.0875 -13.0875 -11.5961 -11.5961 -11.2352 -11.2352 -9.6056 -9.6056 -9.5665 -9.5665 -4.7159 -4.7159 -4.3120 -4.3120 -1.9153 -1.9153 -1.7954 -1.7954 -1.1126 -1.1126 -0.4318 -0.4318 0.1587 0.1587 0.3132 0.3132 0.8112 0.8112 1.2563 1.2563 2.0551 2.0551 2.3915 2.3915 2.4658 2.4658 2.9919 2.9919 3.2213 3.2213 3.6237 3.6237 3.7924 3.7924 4.0911 4.0911 9.3754 9.3754 9.8624 9.8624 10.5454 10.5454 10.8076 10.8076 10.8442 10.8442 k = 0.0000 0.5595-0.0000 ( 5026 PWs) bands (ev): -13.3731 -13.3731 -13.0875 -13.0875 -11.5961 -11.5961 -11.2352 -11.2352 -9.6056 -9.6056 -9.5665 -9.5665 -4.7159 -4.7159 -4.3120 -4.3120 -1.9153 -1.9153 -1.7954 -1.7954 -1.1126 -1.1126 -0.4318 -0.4318 0.1587 0.1587 0.3132 0.3132 0.8112 0.8112 1.2563 1.2563 2.0551 2.0551 2.3915 2.3915 2.4658 2.4658 2.9919 2.9919 3.2213 3.2213 3.6237 3.6237 3.7924 3.7924 4.0911 4.0911 9.3754 9.3754 9.8624 9.8624 10.5454 10.5454 10.8076 10.8076 10.8442 10.8442 k = 0.0000 0.5595 0.0173 ( 5032 PWs) bands (ev): -13.3727 -13.3727 -13.0875 -13.0875 -11.5953 -11.5953 -11.2347 -11.2346 -9.6077 -9.6072 -9.5686 -9.5685 -4.7141 -4.7141 -4.3103 -4.3094 -1.9133 -1.9127 -1.7977 -1.7964 -1.1122 -1.1112 -0.4402 -0.4363 0.1573 0.1605 0.3140 0.3192 0.8115 0.8120 1.2573 1.2580 2.0554 2.0565 2.3756 2.3767 2.4796 2.4797 2.9920 2.9923 3.2205 3.2206 3.6240 3.6241 3.7928 3.7930 4.0910 4.0910 9.3700 9.3726 9.8595 9.8600 10.5107 10.5152 10.8252 10.8254 10.8601 10.8674 k = 0.0000 0.5595 0.0346 ( 5030 PWs) bands (ev): -13.3717 -13.3717 -13.0876 -13.0876 -11.5929 -11.5928 -11.2331 -11.2329 -9.6135 -9.6124 -9.5749 -9.5746 -4.7085 -4.7085 -4.3043 -4.3025 -1.9068 -1.9055 -1.8032 -1.8006 -1.1098 -1.1079 -0.4607 -0.4534 0.1564 0.1628 0.3213 0.3314 0.8128 0.8138 1.2607 1.2621 2.0573 2.0595 2.3439 2.3456 2.5067 2.5068 2.9926 2.9933 3.2182 3.2185 3.6251 3.6252 3.7944 3.7948 4.0907 4.0908 9.3566 9.3616 9.8512 9.8524 10.4393 10.4470 10.8343 10.8405 10.9325 10.9385 k = 0.0000 0.5595 0.0519 ( 5024 PWs) bands (ev): -13.3701 -13.3701 -13.0876 -13.0876 -11.5889 -11.5888 -11.2305 -11.2301 -9.6230 -9.6213 -9.5852 -9.5848 -4.6993 -4.6993 -4.2941 -4.2914 -1.8959 -1.8939 -1.8122 -1.8082 -1.1052 -1.1025 -0.4921 -0.4819 0.1559 0.1654 0.3342 0.3486 0.8152 0.8166 1.2665 1.2684 2.0608 2.0640 2.3070 2.3092 2.5360 2.5366 2.9938 2.9947 3.2144 3.2148 3.6268 3.6269 3.7971 3.7976 4.0902 4.0904 9.3360 9.3433 9.8369 9.8393 10.3587 10.3694 10.8415 10.8523 11.0250 11.0301 k = 0.0000 0.5595 0.0692 ( 5022 PWs) bands (ev): -13.3678 -13.3677 -13.0877 -13.0876 -11.5833 -11.5832 -11.2267 -11.2262 -9.6360 -9.6337 -9.5996 -9.5989 -4.6865 -4.6865 -4.2797 -4.2761 -1.8812 -1.8781 -1.8247 -1.8190 -1.0980 -1.0945 -0.5324 -0.5201 0.1559 0.1682 0.3513 0.3691 0.8186 0.8203 1.2743 1.2768 2.0657 2.0699 2.2677 2.2703 2.5652 2.5661 2.9954 2.9965 3.2093 3.2098 3.6288 3.6291 3.8009 3.8016 4.0896 4.0898 9.3095 9.3186 9.8162 9.8204 10.2791 10.2933 10.8499 10.8637 11.1227 11.1276 k = 0.0000 0.5595 0.0865 ( 5012 PWs) bands (ev): -13.3649 -13.3648 -13.0878 -13.0877 -11.5760 -11.5760 -11.2219 -11.2212 -9.6524 -9.6496 -9.6177 -9.6169 -4.6703 -4.6702 -4.2613 -4.2569 -1.8647 -1.8595 -1.8398 -1.8315 -1.0877 -1.0836 -0.5798 -0.5660 0.1564 0.1714 0.3711 0.3914 0.8229 0.8249 1.2838 1.2867 2.0717 2.0770 2.2268 2.2299 2.5934 2.5947 2.9975 2.9988 3.2029 3.2035 3.6311 3.6315 3.8059 3.8068 4.0887 4.0890 9.2783 9.2890 9.7883 9.7950 10.2050 10.2232 10.8586 10.8739 11.2199 11.2255 k = 0.0000 0.5595 0.1038 ( 5018 PWs) bands (ev): -13.3613 -13.3612 -13.0879 -13.0879 -11.5672 -11.5671 -11.2160 -11.2151 -9.6722 -9.6688 -9.6396 -9.6385 -4.6507 -4.6505 -4.2391 -4.2338 -1.8650 -1.8634 -1.8311 -1.8291 -1.0737 -1.0691 -0.6326 -0.6180 0.1574 0.1748 0.3921 0.4144 0.8282 0.8302 1.2944 1.2977 2.0785 2.0848 2.1849 2.1883 2.6204 2.6221 3.0001 3.0015 3.1953 3.1960 3.6333 3.6338 3.8121 3.8132 4.0876 4.0879 9.2440 9.2560 9.7532 9.7626 10.1389 10.1614 10.8662 10.8816 11.3105 11.3193 k = 0.0000 0.5595 0.1211 ( 5018 PWs) bands (ev): -13.3571 -13.3570 -13.0881 -13.0881 -11.5568 -11.5567 -11.2089 -11.2079 -9.6952 -9.6913 -9.6649 -9.6636 -4.6278 -4.6277 -4.2131 -4.2071 -1.8896 -1.8843 -1.8055 -1.8040 -1.0557 -1.0508 -0.6892 -0.6743 0.1592 0.1787 0.4133 0.4369 0.8342 0.8362 1.3057 1.3093 2.0856 2.0928 2.1424 2.1459 2.6461 2.6481 3.0030 3.0045 3.1868 3.1876 3.6351 3.6359 3.8194 3.8207 4.0861 4.0866 9.2080 9.2210 9.7112 9.7235 10.0821 10.1088 10.8715 10.8861 11.3812 11.3992 k = 0.0000 0.5595 0.1384 ( 5018 PWs) bands (ev): -13.3524 -13.3523 -13.0884 -13.0884 -11.5447 -11.5446 -11.2007 -11.1996 -9.7213 -9.7168 -9.6934 -9.6918 -4.6020 -4.6017 -4.1837 -4.1769 -1.9194 -1.9125 -1.7762 -1.7733 -1.0334 -1.0284 -0.7480 -0.7333 0.1617 0.1830 0.4339 0.4583 0.8410 0.8427 1.3171 1.3209 2.0909 2.0939 2.1050 2.1063 2.6704 2.6728 3.0063 3.0076 3.1776 3.1785 3.6365 3.6374 3.8278 3.8292 4.0843 4.0849 9.1718 9.1854 9.6641 9.6788 10.0347 10.0651 10.8740 10.8869 11.4222 11.4413 k = 0.0000 0.5595 0.1557 ( 5014 PWs) bands (ev): -13.3471 -13.3469 -13.0889 -13.0888 -11.5311 -11.5309 -11.1915 -11.1902 -9.7503 -9.7452 -9.7247 -9.7229 -4.5732 -4.5729 -4.1510 -4.1434 -1.9535 -1.9456 -1.7443 -1.7401 -1.0066 -1.0017 -0.8074 -0.7935 0.1651 0.1879 0.4534 0.4781 0.8482 0.8495 1.3279 1.3318 2.0542 2.0584 2.1013 2.1106 2.6934 2.6960 3.0097 3.0108 3.1681 3.1690 3.6371 3.6382 3.8372 3.8387 4.0822 4.0829 9.1364 9.1506 9.6141 9.6305 9.9955 10.0290 10.8731 10.8840 11.4516 11.4727 k = 0.0000 0.5595 0.1730 ( 5014 PWs) bands (ev): -13.3413 -13.3411 -13.0894 -13.0893 -11.5158 -11.5156 -11.1810 -11.1796 -9.7821 -9.7766 -9.7586 -9.7566 -4.5418 -4.5413 -4.1153 -4.1070 -1.9917 -1.9831 -1.7112 -1.7057 -0.9754 -0.9718 -0.8647 -0.8531 0.1693 0.1934 0.4713 0.4961 0.8557 0.8565 1.3373 1.3414 2.0113 2.0157 2.1071 2.1174 2.7150 2.7179 3.0130 3.0138 3.1587 3.1595 3.6368 3.6381 3.8474 3.8489 4.0797 4.0805 9.1032 9.1179 9.5638 9.5813 9.9630 9.9989 10.8688 10.8777 11.4778 11.5028 k = 0.0000 0.5595 0.1903 ( 5012 PWs) bands (ev): -13.3349 -13.3348 -13.0901 -13.0900 -11.4988 -11.4987 -11.1695 -11.1680 -9.8167 -9.8109 -9.7944 -9.7924 -4.5078 -4.5072 -4.0768 -4.0679 -2.0337 -2.0246 -1.6788 -1.6718 -0.9492 -0.9418 -0.9079 -0.9073 0.1744 0.1996 0.4875 0.5120 0.8633 0.8636 1.3448 1.3490 1.9689 1.9734 2.1117 2.1229 2.7352 2.7383 3.0158 3.0161 3.1500 3.1506 3.6354 3.6370 3.8582 3.8598 4.0768 4.0777 9.0732 9.0882 9.5153 9.5335 9.9357 9.9733 10.8613 10.8682 11.5008 11.5305 k = 0.0000 0.5595 0.2076 ( 5016 PWs) bands (ev): -13.3281 -13.3280 -13.0909 -13.0908 -11.4803 -11.4801 -11.1568 -11.1551 -9.8539 -9.8481 -9.8317 -9.8300 -4.4714 -4.4707 -4.0358 -4.0263 -2.0790 -2.0696 -1.6498 -1.6410 -0.9805 -0.9648 -0.8964 -0.8857 0.1804 0.2064 0.5020 0.5261 0.8705 0.8708 1.3495 1.3538 1.9277 1.9322 2.1144 2.1265 2.7538 2.7571 3.0171 3.0175 3.1428 3.1432 3.6329 3.6347 3.8694 3.8710 4.0735 4.0745 9.0471 9.0625 9.4705 9.4891 9.9122 9.9513 10.8508 10.8559 11.5191 11.5536 k = 0.0000 0.5595 0.2249 ( 5022 PWs) bands (ev): -13.3209 -13.3207 -13.0920 -13.0919 -11.4602 -11.4599 -11.1430 -11.1412 -9.8936 -9.8883 -9.8701 -9.8689 -4.4329 -4.4321 -3.9926 -3.9826 -2.1272 -2.1175 -1.6279 -1.6168 -1.0190 -1.0067 -0.8527 -0.8432 0.1873 0.2140 0.5147 0.5382 0.8770 0.8779 1.3504 1.3549 1.8886 1.8929 2.1146 2.1276 2.7710 2.7745 3.0163 3.0175 3.1380 3.1380 3.6291 3.6311 3.8810 3.8825 4.0698 4.0710 9.0258 9.0416 9.4307 9.4495 9.8917 9.9321 10.8375 10.8410 11.5311 11.5700 k = 0.0000 0.5595 0.2422 ( 5020 PWs) bands (ev): -13.3133 -13.3131 -13.0933 -13.0932 -11.4384 -11.4382 -11.1280 -11.1261 -9.9357 -9.9310 -9.9093 -9.9089 -4.3923 -4.3914 -3.9475 -3.9371 -2.1776 -2.1679 -1.6178 -1.6042 -1.0448 -1.0352 -0.8045 -0.7953 0.1950 0.2223 0.5258 0.5485 0.8830 0.8845 1.3467 1.3515 1.8522 1.8563 2.1120 2.1257 2.7867 2.7904 3.0130 3.0150 3.1361 3.1364 3.6240 3.6262 3.8926 3.8941 4.0658 4.0671 9.0098 9.0260 9.3972 9.4160 9.8737 9.9151 10.8215 10.8236 11.5350 11.5778 k = 0.0000 0.5595 0.2595 ( 5026 PWs) bands (ev): -13.3054 -13.3051 -13.0948 -13.0947 -11.4151 -11.4148 -11.1120 -11.1099 -9.9799 -9.9758 -9.9498 -9.9494 -4.3499 -4.3488 -3.9009 -3.8901 -2.2299 -2.2203 -1.6235 -1.6075 -1.0523 -1.0451 -0.7528 -0.7435 0.2036 0.2312 0.5353 0.5573 0.8883 0.8903 1.3376 1.3428 1.8193 1.8230 2.1062 2.1206 2.8008 2.8046 3.0069 3.0098 3.1379 3.1385 3.6176 3.6199 3.9041 3.9055 4.0616 4.0630 8.9997 9.0163 9.3706 9.3894 9.8577 9.9000 10.8028 10.8040 11.5299 11.5759 k = 0.0000 0.5595 0.2768 ( 5028 PWs) bands (ev): -13.2971 -13.2969 -13.0966 -13.0965 -11.3902 -11.3899 -11.0947 -11.0926 -10.0257 -10.0221 -9.9914 -9.9904 -4.3058 -4.3045 -3.8530 -3.8419 -2.2833 -2.2740 -1.6467 -1.6288 -1.0400 -1.0346 -0.6980 -0.6887 0.2130 0.2409 0.5433 0.5645 0.8927 0.8950 1.3224 1.3280 1.7906 1.7939 2.0969 2.1119 2.8134 2.8174 2.9985 3.0021 3.1433 3.1440 3.6098 3.6122 3.9154 3.9167 4.0571 4.0587 8.9957 9.0129 9.3516 9.3703 9.8433 9.8865 10.7814 10.7818 11.5150 11.5638 k = 0.0000 0.5595 0.2941 ( 5026 PWs) bands (ev): -13.2886 -13.2883 -13.0987 -13.0986 -11.3637 -11.3633 -11.0764 -11.0741 -10.0728 -10.0697 -10.0336 -10.0320 -4.2601 -4.2587 -3.8044 -3.7931 -2.3374 -2.3284 -1.6854 -1.6663 -1.0098 -1.0053 -0.6407 -0.6312 0.2233 0.2512 0.5499 0.5704 0.8959 0.8986 1.3006 1.3067 1.7666 1.7693 2.0839 2.0994 2.8243 2.8285 2.9882 2.9924 3.1518 3.1525 3.6006 3.6032 3.9263 3.9275 4.0526 4.0542 8.9982 9.0160 9.3405 9.3590 9.8303 9.8743 10.7571 10.7572 11.4904 11.5414 k = 0.0000 0.5595 0.3114 ( 5020 PWs) bands (ev): -13.2799 -13.2796 -13.1011 -13.1010 -11.3357 -11.3353 -11.0571 -11.0546 -10.1210 -10.1182 -10.0763 -10.0742 -4.2131 -4.2114 -3.7555 -3.7440 -2.3914 -2.3829 -1.7358 -1.7162 -0.9656 -0.9614 -0.5815 -0.5719 0.2344 0.2623 0.5553 0.5752 0.8979 0.9007 1.2724 1.2791 1.7473 1.7493 2.0674 2.0832 2.8338 2.8381 2.9768 2.9815 3.1629 3.1635 3.5901 3.5928 3.9368 3.9378 4.0480 4.0498 9.0071 9.0257 9.3377 9.3559 9.8184 9.8632 10.7296 10.7300 11.4566 11.5091 k = 0.0000 0.5595 0.3287 ( 5022 PWs) bands (ev): -13.2710 -13.2707 -13.1039 -13.1037 -11.3062 -11.3058 -11.0367 -11.0342 -10.1698 -10.1674 -10.1192 -10.1168 -4.1648 -4.1629 -3.7069 -3.6954 -2.4445 -2.4368 -1.7942 -1.7745 -0.9113 -0.9070 -0.5211 -0.5114 0.2464 0.2741 0.5597 0.5789 0.8983 0.9010 1.2382 1.2455 1.7323 1.7338 2.0474 2.0634 2.8417 2.8462 2.9649 2.9698 3.1760 3.1764 3.5783 3.5811 3.9467 3.9475 4.0436 4.0454 9.0224 9.0419 9.3432 9.3610 9.8074 9.8527 10.6990 10.6995 11.4148 11.4679 k = 0.0000 0.5595 0.3460 ( 5024 PWs) bands (ev): -13.2619 -13.2616 -13.1070 -13.1068 -11.2753 -11.2748 -11.0154 -11.0128 -10.2190 -10.2168 -10.1622 -10.1596 -4.1154 -4.1133 -3.6592 -3.6479 -2.4960 -2.4891 -1.8579 -1.8383 -0.8499 -0.8453 -0.4603 -0.4506 0.2594 0.2866 0.5630 0.5818 0.8970 0.8994 1.1991 1.2069 1.7212 1.7221 2.0243 2.0403 2.8481 2.8528 2.9528 2.9580 3.1906 3.1908 3.5654 3.5682 3.9560 3.9566 4.0393 4.0412 9.0439 9.0644 9.3570 9.3743 9.7968 9.8426 10.6648 10.6651 11.3669 11.4201 k = 0.0000 0.5595 0.3633 ( 5020 PWs) bands (ev): -13.2528 -13.2525 -13.1104 -13.1102 -11.2429 -11.2424 -10.9933 -10.9905 -10.2682 -10.2661 -10.2052 -10.2023 -4.0650 -4.0627 -3.6134 -3.6025 -2.5447 -2.5388 -1.9248 -1.9053 -0.7838 -0.7787 -0.4000 -0.3904 0.2736 0.3002 0.5656 0.5839 0.8936 0.8955 1.1559 1.1643 1.7133 1.7135 1.9985 2.0144 2.8533 2.8581 2.9409 2.9464 3.2064 3.2064 3.5514 3.5542 3.9646 3.9651 4.0352 4.0372 9.0714 9.0931 9.3790 9.3955 9.7864 9.8325 10.6265 10.6265 11.3150 11.3679 k = 0.0000 0.5595 0.3806 ( 5022 PWs) bands (ev): -13.2437 -13.2434 -13.1143 -13.1141 -11.2093 -11.2087 -10.9706 -10.9677 -10.3169 -10.3151 -10.2478 -10.2448 -4.0138 -4.0113 -3.5707 -3.5604 -2.5893 -2.5847 -1.9935 -1.9743 -0.7147 -0.7090 -0.3415 -0.3323 0.2894 0.3148 0.5675 0.5854 0.8878 0.8890 1.1100 1.1188 1.7077 1.7080 1.9706 1.9862 2.8572 2.8622 2.9295 2.9353 3.2228 3.2231 3.5365 3.5394 3.9725 3.9728 4.0315 4.0335 9.1043 9.1275 9.4089 9.4245 9.7756 9.8217 10.5830 10.5838 11.2613 11.3138 k = 0.0000 0.5595 0.3979 ( 5016 PWs) bands (ev): -13.2345 -13.2342 -13.1185 -13.1183 -11.1744 -11.1738 -10.9475 -10.9446 -10.3649 -10.3632 -10.2900 -10.2868 -3.9620 -3.9593 -3.5325 -3.5231 -2.6281 -2.6251 -2.0631 -2.0442 -0.6440 -0.6376 -0.2861 -0.2776 0.3070 0.3309 0.5688 0.5865 0.8795 0.8797 1.0625 1.0716 1.7040 1.7048 1.9414 1.9565 2.8600 2.8653 2.9188 2.9248 3.2399 3.2403 3.5209 3.5237 3.9796 3.9797 4.0281 4.0301 9.1423 9.1669 9.4462 9.4604 9.7643 9.8099 10.5343 10.5359 11.2082 11.2601 k = 0.0000 0.5595 0.4152 ( 5020 PWs) bands (ev): -13.2254 -13.2251 -13.1232 -13.1229 -11.1385 -11.1378 -10.9245 -10.9215 -10.4114 -10.4098 -10.3314 -10.3281 -3.9098 -3.9069 -3.5007 -3.4925 -2.6592 -2.6581 -2.1327 -2.1143 -0.5729 -0.5659 -0.2355 -0.2282 0.3272 0.3487 0.5696 0.5871 0.8675 0.8684 1.0146 1.0238 1.7022 1.7036 1.9115 1.9260 2.8620 2.8675 2.9090 2.9152 3.2574 3.2580 3.5046 3.5074 3.9859 3.9860 4.0251 4.0271 9.1845 9.2109 9.4902 9.5024 9.7522 9.7966 10.4799 10.4827 11.1578 11.2091 k = 0.0000 0.5595 0.4325 ( 5020 PWs) bands (ev): -13.2165 -13.2161 -13.1282 -13.1280 -11.1017 -11.1009 -10.9023 -10.8993 -10.4556 -10.4541 -10.3718 -10.3685 -3.8575 -3.8544 -3.4773 -3.4707 -2.6815 -2.6804 -2.2019 -2.1838 -0.5026 -0.4949 -0.1916 -0.1861 0.3505 0.3689 0.5699 0.5873 0.8524 0.8545 0.9678 0.9768 1.7022 1.7042 1.8819 1.8955 2.8633 2.8690 2.9002 2.9065 3.2751 3.2759 3.4879 3.4906 3.9913 3.9916 4.0225 4.0244 9.2301 9.2586 9.5399 9.5484 9.7403 9.7815 10.4197 10.4240 11.1120 11.1625 k = 0.0000 0.5595 0.4498 ( 5014 PWs) bands (ev): -13.2076 -13.2073 -13.1337 -13.1334 -11.0642 -11.0633 -10.8820 -10.8790 -10.4963 -10.4947 -10.4109 -10.4076 -3.8053 -3.8021 -3.4642 -3.4595 -2.6935 -2.6898 -2.2700 -2.2524 -0.4342 -0.4259 -0.1566 -0.1533 0.3773 0.3916 0.5695 0.5869 0.8349 0.8381 0.9234 0.9317 1.7039 1.7065 1.8532 1.8659 2.8641 2.8700 2.8924 2.8988 3.2930 3.2940 3.4709 3.4734 3.9960 3.9965 4.0202 4.0221 9.2784 9.3090 9.5928 9.5930 9.7326 9.7658 10.3542 10.3601 11.0722 11.1221 k = 0.0000 0.5595 0.4671 ( 5008 PWs) bands (ev): -13.1989 -13.1986 -13.1395 -13.1392 -11.0264 -11.0255 -10.8656 -10.8626 -10.5314 -10.5298 -10.4483 -10.4450 -3.7536 -3.7503 -3.4628 -3.4600 -2.6925 -2.6863 -2.3363 -2.3193 -0.3691 -0.3603 -0.1322 -0.1315 0.4076 0.4170 0.5679 0.5854 0.8160 0.8201 0.8831 0.8898 1.7075 1.7108 1.8262 1.8379 2.8647 2.8708 2.8857 2.8922 3.3110 3.3122 3.4535 3.4560 4.0000 4.0007 4.0181 4.0199 9.3283 9.3613 9.6211 9.6410 9.7430 9.7560 10.2838 10.2914 11.0396 11.0889 k = 0.0000 0.5595 0.4844 ( 5004 PWs) bands (ev): -13.1904 -13.1901 -13.1457 -13.1454 -10.9889 -10.9878 -10.8556 -10.8529 -10.5581 -10.5563 -10.4834 -10.4801 -3.7029 -3.6996 -3.4731 -3.4721 -2.6785 -2.6698 -2.4004 -2.3839 -0.3085 -0.2993 -0.1221 -0.1199 0.4406 0.4445 0.5641 0.5814 0.7981 0.8026 0.8482 0.8526 1.7131 1.7172 1.8015 1.8120 2.8653 2.8716 2.8801 2.8866 3.3291 3.3304 3.4360 3.4383 4.0034 4.0043 4.0163 4.0180 9.3786 9.4142 9.6179 9.6594 9.7761 9.7850 10.2096 10.2190 11.0150 11.0570 k = 0.0000 0.5595 0.5017 ( 5010 PWs) bands (ev): -13.1822 -13.1819 -13.1523 -13.1520 -10.9525 -10.9512 -10.8555 -10.8530 -10.5731 -10.5710 -10.5153 -10.5121 -3.6538 -3.6507 -3.4947 -3.4943 -2.6522 -2.6415 -2.4615 -2.4457 -0.2539 -0.2446 -0.1254 -0.1207 0.4728 0.4747 0.5565 0.5732 0.7842 0.7888 0.8197 0.8212 1.7209 1.7259 1.7795 1.7889 2.8662 2.8725 2.8755 2.8821 3.3470 3.3485 3.4184 3.4205 4.0063 4.0073 4.0145 4.0161 9.4283 9.4665 9.5943 9.6407 9.8321 9.8468 10.1329 10.1439 10.9990 11.0271 k = 0.0000 0.5595 0.5190 ( 5016 PWs) bands (ev): -13.1743 -13.1740 -13.1593 -13.1590 -10.9184 -10.9170 -10.8670 -10.8649 -10.5746 -10.5721 -10.5427 -10.5396 -3.6072 -3.6043 -3.5261 -3.5245 -2.6155 -2.6031 -2.5185 -2.5036 -0.2068 -0.1978 -0.1412 -0.1345 0.5002 0.5075 0.5435 0.5585 0.7782 0.7824 0.7973 0.7985 1.7313 1.7373 1.7605 1.7686 2.8674 2.8720 2.8739 2.8785 3.3650 3.3666 3.4006 3.4026 4.0088 4.0099 4.0128 4.0142 9.4760 9.5169 9.5606 9.6062 9.9022 9.9170 10.0550 10.0675 10.9921 11.0061 k = 0.0000 0.5595 0.5363 ( 5016 PWs) bands (ev): -13.1666 -13.1666 -13.1663 -13.1663 -10.8889 -10.8889 -10.8872 -10.8872 -10.5634 -10.5634 -10.5606 -10.5606 -3.5641 -3.5641 -3.5618 -3.5618 -2.5704 -2.5704 -2.5565 -2.5565 -0.1688 -0.1688 -0.1606 -0.1606 0.5245 0.5245 0.5362 0.5362 0.7825 0.7825 0.7856 0.7856 1.7444 1.7444 1.7515 1.7515 2.8693 2.8693 2.8758 2.8758 3.3828 3.3828 3.3847 3.3847 4.0109 4.0109 4.0122 4.0122 9.5205 9.5205 9.5640 9.5640 9.9775 9.9775 9.9914 9.9914 10.9944 10.9944 k = 0.0000 0.5595 0.5363 ( 5016 PWs) bands (ev): -13.1666 -13.1666 -13.1663 -13.1663 -10.8889 -10.8889 -10.8872 -10.8872 -10.5634 -10.5634 -10.5606 -10.5606 -3.5641 -3.5641 -3.5618 -3.5618 -2.5704 -2.5704 -2.5565 -2.5565 -0.1688 -0.1688 -0.1606 -0.1606 0.5245 0.5245 0.5362 0.5362 0.7825 0.7825 0.7856 0.7856 1.7444 1.7444 1.7515 1.7515 2.8693 2.8693 2.8758 2.8758 3.3828 3.3828 3.3847 3.3847 4.0109 4.0109 4.0122 4.0122 9.5205 9.5205 9.5640 9.5640 9.9775 9.9775 9.9914 9.9914 10.9944 10.9944 k = 0.0173 0.5595 0.5363 ( 5014 PWs) bands (ev): -13.1664 -13.1664 -13.1661 -13.1661 -10.8909 -10.8909 -10.8891 -10.8891 -10.5618 -10.5618 -10.5590 -10.5590 -3.5627 -3.5627 -3.5602 -3.5602 -2.5721 -2.5721 -2.5583 -2.5583 -0.1680 -0.1680 -0.1598 -0.1598 0.5190 0.5190 0.5346 0.5346 0.7827 0.7827 0.7934 0.7934 1.7433 1.7433 1.7505 1.7505 2.8709 2.8709 2.8774 2.8774 3.3829 3.3829 3.3848 3.3848 4.0091 4.0091 4.0105 4.0105 9.5181 9.5181 9.5612 9.5612 9.9798 9.9798 9.9947 9.9947 10.9934 10.9934 k = 0.0345 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1656 -13.1656 -13.1653 -13.1653 -10.8966 -10.8966 -10.8948 -10.8948 -10.5572 -10.5572 -10.5544 -10.5544 -3.5582 -3.5582 -3.5555 -3.5555 -2.5774 -2.5774 -2.5636 -2.5636 -0.1657 -0.1657 -0.1573 -0.1573 0.5056 0.5056 0.5278 0.5278 0.7900 0.7900 0.8091 0.8091 1.7401 1.7401 1.7474 1.7474 2.8754 2.8754 2.8819 2.8819 3.3831 3.3831 3.3853 3.3853 4.0039 4.0039 4.0055 4.0055 9.5110 9.5110 9.5531 9.5531 9.9868 9.9868 10.0041 10.0041 10.9903 10.9903 k = 0.0518 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1644 -13.1644 -13.1641 -13.1641 -10.9058 -10.9058 -10.9039 -10.9039 -10.5498 -10.5498 -10.5470 -10.5470 -3.5509 -3.5509 -3.5476 -3.5476 -2.5860 -2.5860 -2.5724 -2.5724 -0.1618 -0.1618 -0.1532 -0.1532 0.4877 0.4877 0.5155 0.5155 0.8042 0.8042 0.8296 0.8296 1.7349 1.7349 1.7425 1.7425 2.8829 2.8829 2.8894 2.8894 3.3835 3.3835 3.3861 3.3861 3.9952 3.9952 3.9971 3.9971 9.4998 9.4998 9.5403 9.5403 9.9982 9.9982 10.0186 10.0186 10.9853 10.9853 k = 0.0690 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1628 -13.1628 -13.1624 -13.1624 -10.9180 -10.9180 -10.9159 -10.9159 -10.5401 -10.5401 -10.5373 -10.5373 -3.5406 -3.5406 -3.5368 -3.5368 -2.5981 -2.5981 -2.5847 -2.5847 -0.1564 -0.1564 -0.1474 -0.1474 0.4671 0.4671 0.4988 0.4988 0.8238 0.8238 0.8535 0.8535 1.7278 1.7278 1.7358 1.7358 2.8931 2.8931 2.8996 2.8996 3.3841 3.3841 3.3872 3.3872 3.9833 3.9833 3.9855 3.9855 9.4853 9.4853 9.5239 9.5239 10.0135 10.0135 10.0372 10.0372 10.9785 10.9785 k = 0.0863 0.5595 0.5363 ( 5008 PWs) bands (ev): -13.1607 -13.1607 -13.1603 -13.1603 -10.9326 -10.9326 -10.9304 -10.9304 -10.5286 -10.5286 -10.5259 -10.5259 -3.5275 -3.5275 -3.5231 -3.5231 -2.6135 -2.6135 -2.6002 -2.6002 -0.1496 -0.1496 -0.1401 -0.1401 0.4450 0.4450 0.4793 0.4793 0.8471 0.8471 0.8796 0.8796 1.7190 1.7190 1.7275 1.7275 2.9057 2.9057 2.9121 2.9121 3.3851 3.3851 3.3887 3.3887 3.9682 3.9682 3.9708 3.9708 9.4683 9.4683 9.5049 9.5049 10.0319 10.0319 10.0587 10.0587 10.9699 10.9699 k = 0.1035 0.5595 0.5363 ( 5008 PWs) bands (ev): -13.1581 -13.1581 -13.1577 -13.1577 -10.9491 -10.9491 -10.9469 -10.9469 -10.5157 -10.5157 -10.5130 -10.5130 -3.5116 -3.5116 -3.5066 -3.5066 -2.6319 -2.6319 -2.6189 -2.6189 -0.1413 -0.1413 -0.1312 -0.1312 0.4223 0.4223 0.4582 0.4582 0.8727 0.8727 0.9070 0.9070 1.7089 1.7089 1.7178 1.7178 2.9203 2.9203 2.9266 2.9266 3.3864 3.3864 3.3907 3.3907 3.9501 3.9501 3.9531 3.9531 9.4497 9.4497 9.4841 9.4841 10.0529 10.0529 10.0824 10.0824 10.9599 10.9599 k = 0.1208 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1552 -13.1552 -13.1548 -13.1548 -10.9671 -10.9671 -10.9649 -10.9649 -10.5018 -10.5018 -10.4991 -10.4991 -3.4932 -3.4932 -3.4875 -3.4875 -2.6534 -2.6534 -2.6406 -2.6406 -0.1317 -0.1317 -0.1209 -0.1209 0.3994 0.3994 0.4362 0.4362 0.8998 0.8998 0.9352 0.9352 1.6976 1.6976 1.7070 1.7070 2.9364 2.9364 2.9427 2.9427 3.3884 3.3884 3.3932 3.3932 3.9292 3.9292 3.9326 3.9326 9.4301 9.4301 9.4624 9.4624 10.0756 10.0756 10.1076 10.1076 10.9486 10.9486 k = 0.1381 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1520 -13.1520 -13.1515 -13.1515 -10.9863 -10.9863 -10.9840 -10.9840 -10.4871 -10.4871 -10.4845 -10.4845 -3.4723 -3.4723 -3.4659 -3.4659 -2.6777 -2.6777 -2.6651 -2.6651 -0.1208 -0.1208 -0.1093 -0.1093 0.3766 0.3766 0.4138 0.4138 0.9277 0.9277 0.9638 0.9638 1.6854 1.6854 1.6953 1.6953 2.9538 2.9538 2.9599 2.9599 3.3910 3.3910 3.3964 3.3964 3.9058 3.9058 3.9096 3.9096 9.4101 9.4101 9.4402 9.4402 10.0997 10.0997 10.1337 10.1337 10.9363 10.9363 k = 0.1553 0.5595 0.5363 ( 5020 PWs) bands (ev): -13.1484 -13.1484 -13.1479 -13.1479 -11.0063 -11.0063 -11.0039 -11.0039 -10.4720 -10.4720 -10.4694 -10.4694 -3.4493 -3.4493 -3.4422 -3.4422 -2.7044 -2.7044 -2.6921 -2.6921 -0.1087 -0.1087 -0.0963 -0.0963 0.3543 0.3543 0.3915 0.3915 0.9559 0.9559 0.9924 0.9924 1.6726 1.6726 1.6830 1.6830 2.9717 2.9717 2.9777 2.9777 3.3945 3.3945 3.4004 3.4004 3.8801 3.8801 3.8844 3.8844 9.3900 9.3900 9.4182 9.4182 10.1246 10.1246 10.1604 10.1604 10.9232 10.9232 k = 0.1726 0.5595 0.5363 ( 5014 PWs) bands (ev): -13.1446 -13.1446 -13.1441 -13.1441 -11.0267 -11.0267 -11.0243 -11.0243 -10.4565 -10.4565 -10.4540 -10.4540 -3.4243 -3.4243 -3.4165 -3.4165 -2.7335 -2.7335 -2.7213 -2.7213 -0.0955 -0.0955 -0.0821 -0.0821 0.3326 0.3326 0.3694 0.3694 0.9840 0.9840 1.0206 1.0206 1.6596 1.6596 1.6703 1.6703 2.9896 2.9896 2.9954 2.9954 3.3992 3.3992 3.4056 3.4056 3.8525 3.8525 3.8572 3.8572 9.3703 9.3703 9.3966 9.3966 10.1501 10.1501 10.1874 10.1874 10.9095 10.9095 k = 0.1898 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1406 -13.1406 -13.1400 -13.1400 -11.0474 -11.0474 -11.0450 -11.0450 -10.4409 -10.4409 -10.4385 -10.4385 -3.3978 -3.3978 -3.3892 -3.3892 -2.7644 -2.7644 -2.7524 -2.7524 -0.0811 -0.0811 -0.0668 -0.0668 0.3116 0.3116 0.3479 0.3479 1.0117 1.0117 1.0484 1.0484 1.6465 1.6465 1.6575 1.6575 3.0070 3.0070 3.0124 3.0124 3.4053 3.4053 3.4122 3.4122 3.8233 3.8233 3.8285 3.8285 9.3512 9.3512 9.3757 9.3757 10.1758 10.1758 10.2142 10.2142 10.8956 10.8956 k = 0.2071 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1364 -13.1364 -13.1359 -13.1359 -11.0682 -11.0682 -11.0658 -11.0658 -10.4253 -10.4253 -10.4229 -10.4229 -3.3703 -3.3703 -3.3609 -3.3609 -2.7967 -2.7967 -2.7848 -2.7848 -0.0658 -0.0658 -0.0505 -0.0505 0.2913 0.2913 0.3269 0.3269 1.0387 1.0387 1.0752 1.0752 1.6336 1.6336 1.6448 1.6448 3.0231 3.0231 3.0282 3.0282 3.4131 3.4131 3.4204 3.4204 3.7929 3.7929 3.7985 3.7985 9.3327 9.3327 9.3557 9.3557 10.2014 10.2014 10.2407 10.2407 10.8819 10.8819 k = 0.2244 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1322 -13.1322 -13.1316 -13.1316 -11.0888 -11.0888 -11.0864 -11.0864 -10.4097 -10.4097 -10.4074 -10.4074 -3.3424 -3.3424 -3.3323 -3.3323 -2.8297 -2.8297 -2.8177 -2.8177 -0.0497 -0.0497 -0.0333 -0.0333 0.2720 0.2720 0.3066 0.3066 1.0646 1.0646 1.1010 1.1010 1.6212 1.6212 1.6324 1.6324 3.0374 3.0374 3.0421 3.0421 3.4230 3.4230 3.4307 3.4307 3.7617 3.7617 3.7677 3.7677 9.3151 9.3151 9.3367 9.3367 10.2266 10.2266 10.2664 10.2664 10.8687 10.8687 k = 0.2416 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1279 -13.1279 -13.1274 -13.1274 -11.1091 -11.1091 -11.1067 -11.1067 -10.3942 -10.3942 -10.3920 -10.3920 -3.3153 -3.3153 -3.3043 -3.3043 -2.8623 -2.8623 -2.8502 -2.8502 -0.0328 -0.0328 -0.0155 -0.0155 0.2538 0.2538 0.2871 0.2871 1.0892 1.0892 1.1254 1.1254 1.6096 1.6096 1.6206 1.6206 3.0494 3.0494 3.0537 3.0537 3.4352 3.4352 3.4431 3.4431 3.7301 3.7301 3.7364 3.7364 9.2983 9.2983 9.3188 9.3188 10.2512 10.2512 10.2911 10.2911 10.8565 10.8565 k = 0.2589 0.5595 0.5363 ( 5012 PWs) bands (ev): -13.1238 -13.1238 -13.1232 -13.1232 -11.1288 -11.1288 -11.1264 -11.1264 -10.3788 -10.3788 -10.3768 -10.3768 -3.2906 -3.2906 -3.2785 -3.2785 -2.8931 -2.8931 -2.8805 -2.8805 -0.0154 -0.0154 0.0027 0.0027 0.2367 0.2367 0.2687 0.2687 1.1121 1.1121 1.1480 1.1480 1.5990 1.5990 1.6097 1.6097 3.0585 3.0585 3.0624 3.0624 3.4499 3.4499 3.4580 3.4580 3.6985 3.6985 3.7052 3.7052 9.2824 9.2824 9.3018 9.3018 10.2746 10.2746 10.3142 10.3142 10.8458 10.8458 k = 0.2761 0.5595 0.5363 ( 5006 PWs) bands (ev): -13.1197 -13.1197 -13.1192 -13.1192 -11.1478 -11.1478 -11.1455 -11.1455 -10.3637 -10.3637 -10.3617 -10.3617 -3.2707 -3.2707 -3.2575 -3.2575 -2.9196 -2.9196 -2.9063 -2.9063 0.0022 0.0022 0.0210 0.0210 0.2211 0.2211 0.2515 0.2515 1.1329 1.1329 1.1685 1.1685 1.5900 1.5900 1.5999 1.5999 3.0646 3.0646 3.0680 3.0680 3.4671 3.4671 3.4752 3.4752 3.6673 3.6673 3.6743 3.6743 9.2673 9.2673 9.2859 9.2859 10.2964 10.2964 10.3354 10.3354 10.8373 10.8373 k = 0.2934 0.5595 0.5363 ( 5004 PWs) bands (ev): -13.1159 -13.1159 -13.1154 -13.1154 -11.1661 -11.1661 -11.1638 -11.1638 -10.3488 -10.3488 -10.3469 -10.3469 -3.2590 -3.2590 -3.2448 -3.2448 -2.9382 -2.9382 -2.9240 -2.9240 0.0195 0.0195 0.0388 0.0388 0.2076 0.2076 0.2361 0.2361 1.1512 1.1512 1.1864 1.1864 1.5827 1.5827 1.5916 1.5916 3.0675 3.0675 3.0706 3.0706 3.4865 3.4865 3.4947 3.4947 3.6371 3.6371 3.6443 3.6443 9.2529 9.2529 9.2709 9.2709 10.3161 10.3161 10.3540 10.3540 10.8318 10.8318 k = 0.3106 0.5595 0.5363 ( 5004 PWs) bands (ev): -13.1124 -13.1124 -13.1119 -13.1119 -11.1833 -11.1833 -11.1810 -11.1810 -10.3341 -10.3341 -10.3323 -10.3323 -3.2592 -3.2592 -3.2444 -3.2444 -2.9451 -2.9451 -2.9302 -2.9302 0.0356 0.0356 0.0550 0.0550 0.1968 0.1968 0.2232 0.2232 1.1665 1.1665 1.2012 1.2012 1.5777 1.5777 1.5854 1.5854 3.0675 3.0675 3.0702 3.0702 3.5076 3.5076 3.5157 3.5157 3.6085 3.6085 3.6158 3.6158 9.2392 9.2392 9.2567 9.2567 10.3327 10.3327 10.3694 10.3694 10.8298 10.8298 k = 0.3279 0.5595 0.5363 ( 5004 PWs) bands (ev): -13.1092 -13.1092 -13.1087 -13.1087 -11.1994 -11.1994 -11.1972 -11.1972 -10.3197 -10.3197 -10.3179 -10.3179 -3.2728 -3.2728 -3.2581 -3.2581 -2.9384 -2.9384 -2.9232 -2.9232 0.0490 0.0490 0.0683 0.0683 0.1902 0.1902 0.2143 0.2143 1.1782 1.1782 1.2124 1.2124 1.5754 1.5754 1.5818 1.5818 3.0647 3.0647 3.0673 3.0673 3.5286 3.5286 3.5362 3.5362 3.5838 3.5838 3.5906 3.5906 9.2260 9.2260 9.2432 9.2432 10.3455 10.3455 10.3810 10.3810 10.8318 10.8318 k = 0.3452 0.5595 0.5363 ( 5002 PWs) bands (ev): -13.1065 -13.1065 -13.1060 -13.1060 -11.2143 -11.2143 -11.2121 -11.2121 -10.3055 -10.3055 -10.3038 -10.3038 -3.2987 -3.2987 -3.2844 -3.2844 -2.9195 -2.9195 -2.9043 -2.9043 0.0577 0.0577 0.0770 0.0770 0.1892 0.1892 0.2116 0.2116 1.1856 1.1856 1.2193 1.2193 1.5758 1.5758 1.5816 1.5816 3.0596 3.0596 3.0621 3.0621 3.5377 3.5377 3.5420 3.5420 3.5769 3.5769 3.5802 3.5802 9.2133 9.2133 9.2303 9.2303 10.3537 10.3537 10.3885 10.3885 10.8373 10.8373 k = 0.3452 0.5595 0.5363 ( 5002 PWs) bands (ev): -13.1065 -13.1065 -13.1060 -13.1060 -11.2143 -11.2143 -11.2121 -11.2121 -10.3055 -10.3055 -10.3038 -10.3038 -3.2987 -3.2987 -3.2844 -3.2844 -2.9195 -2.9195 -2.9043 -2.9043 0.0577 0.0577 0.0770 0.0770 0.1892 0.1892 0.2116 0.2116 1.1856 1.1856 1.2193 1.2193 1.5758 1.5758 1.5816 1.5816 3.0596 3.0596 3.0621 3.0621 3.5377 3.5377 3.5420 3.5420 3.5769 3.5769 3.5802 3.5802 9.2133 9.2133 9.2303 9.2303 10.3537 10.3537 10.3885 10.3885 10.8373 10.8373 k = 0.3361 0.5447 0.5363 ( 5000 PWs) bands (ev): -13.1114 -13.1114 -13.1108 -13.1108 -11.1865 -11.1865 -11.1842 -11.1842 -10.3325 -10.3325 -10.3307 -10.3307 -3.2388 -3.2388 -3.2234 -3.2234 -2.9662 -2.9662 -2.9509 -2.9509 0.0470 0.0470 0.0661 0.0661 0.1849 0.1849 0.2094 0.2094 1.1751 1.1751 1.2097 1.2097 1.5731 1.5731 1.5790 1.5790 3.0707 3.0707 3.0733 3.0733 3.5502 3.5502 3.5579 3.5579 3.5650 3.5650 3.5652 3.5652 9.2363 9.2363 9.2536 9.2536 10.3422 10.3422 10.3778 10.3778 10.8280 10.8280 k = 0.3270 0.5300 0.5363 ( 4996 PWs) bands (ev): -13.1164 -13.1164 -13.1159 -13.1159 -11.1574 -11.1574 -11.1550 -11.1550 -10.3597 -10.3597 -10.3580 -10.3580 -3.1778 -3.1778 -3.1611 -3.1611 -3.0150 -3.0150 -2.9998 -2.9998 0.0365 0.0365 0.0552 0.0552 0.1804 0.1804 0.2071 0.2071 1.1632 1.1632 1.1986 1.1986 1.5724 1.5724 1.5784 1.5784 3.0805 3.0805 3.0833 3.0833 3.5437 3.5437 3.5498 3.5498 3.5744 3.5744 3.5764 3.5764 9.2574 9.2574 9.2749 9.2749 10.3291 10.3291 10.3654 10.3654 10.8226 10.8226 k = 0.3179 0.5153 0.5363 ( 5012 PWs) bands (ev): -13.1217 -13.1217 -13.1212 -13.1212 -11.1270 -11.1270 -11.1245 -11.1245 -10.3872 -10.3872 -10.3854 -10.3854 -3.1173 -3.1173 -3.0981 -3.0981 -3.0646 -3.0646 -3.0508 -3.0508 0.0259 0.0259 0.0443 0.0443 0.1759 0.1759 0.2047 0.2047 1.1502 1.1502 1.1863 1.1863 1.5739 1.5739 1.5800 1.5800 3.0891 3.0891 3.0920 3.0920 3.5317 3.5317 3.5371 3.5371 3.5917 3.5917 3.5946 3.5946 9.2761 9.2761 9.2936 9.2936 10.3140 10.3140 10.3508 10.3508 10.8214 10.8214 k = 0.3088 0.5006 0.5363 ( 5016 PWs) bands (ev): -13.1273 -13.1273 -13.1267 -13.1267 -11.0954 -11.0954 -11.0929 -11.0929 -10.4148 -10.4148 -10.4130 -10.4130 -3.1218 -3.1218 -3.1045 -3.1045 -3.0503 -3.0503 -3.0336 -3.0336 0.0154 0.0154 0.0334 0.0334 0.1714 0.1714 0.2021 0.2021 1.1363 1.1363 1.1728 1.1728 1.5776 1.5776 1.5838 1.5838 3.0964 3.0964 3.0995 3.0995 3.5207 3.5207 3.5259 3.5259 3.6102 3.6102 3.6136 3.6136 9.2922 9.2922 9.3096 9.3096 10.2964 10.2964 10.3336 10.3336 10.8247 10.8247 k = 0.2997 0.4858 0.5363 ( 5000 PWs) bands (ev): -13.1330 -13.1330 -13.1324 -13.1324 -11.0627 -11.0627 -11.0600 -11.0600 -10.4423 -10.4423 -10.4405 -10.4405 -3.1757 -3.1757 -3.1595 -3.1595 -2.9882 -2.9882 -2.9694 -2.9694 0.0047 0.0047 0.0223 0.0223 0.1668 0.1668 0.1995 0.1995 1.1216 1.1216 1.1584 1.1584 1.5838 1.5838 1.5901 1.5901 3.1025 3.1025 3.1057 3.1057 3.5114 3.5114 3.5163 3.5163 3.6296 3.6296 3.6332 3.6332 9.3053 9.3053 9.3225 9.3225 10.2760 10.2760 10.3134 10.3134 10.8328 10.8328 k = 0.2907 0.4711 0.5363 ( 5004 PWs) bands (ev): -13.1389 -13.1389 -13.1383 -13.1383 -11.0289 -11.0289 -11.0262 -11.0262 -10.4697 -10.4697 -10.4679 -10.4679 -3.2323 -3.2323 -3.2165 -3.2165 -2.9251 -2.9251 -2.9050 -2.9050 -0.0062 -0.0062 0.0109 0.0109 0.1623 0.1623 0.1968 0.1968 1.1064 1.1064 1.1434 1.1434 1.5924 1.5924 1.5989 1.5989 3.1073 3.1073 3.1106 3.1106 3.5037 3.5037 3.5084 3.5084 3.6494 3.6494 3.6533 3.6533 9.3153 9.3153 9.3322 9.3322 10.2526 10.2526 10.2900 10.2900 10.8446 10.8446 k = 0.2816 0.4564 0.5363 ( 5008 PWs) bands (ev): -13.1450 -13.1450 -13.1444 -13.1444 -10.9940 -10.9940 -10.9913 -10.9913 -10.4969 -10.4969 -10.4951 -10.4951 -3.2906 -3.2906 -3.2751 -3.2751 -2.8620 -2.8620 -2.8408 -2.8408 -0.0175 -0.0175 -0.0009 -0.0009 0.1579 0.1579 0.1941 0.1941 1.0909 1.0909 1.1279 1.1279 1.6036 1.6036 1.6102 1.6102 3.1108 3.1108 3.1143 3.1143 3.4977 3.4977 3.5023 3.5023 3.6695 3.6695 3.6737 3.6737 9.3223 9.3223 9.3387 9.3387 10.2258 10.2258 10.2630 10.2630 10.8607 10.8607 k = 0.2725 0.4417 0.5363 ( 4996 PWs) bands (ev): -13.1513 -13.1513 -13.1507 -13.1507 -10.9583 -10.9583 -10.9554 -10.9554 -10.5238 -10.5238 -10.5220 -10.5220 -3.3503 -3.3503 -3.3352 -3.3352 -2.7993 -2.7993 -2.7770 -2.7770 -0.0292 -0.0292 -0.0131 -0.0131 0.1537 0.1537 0.1915 0.1915 1.0755 1.0755 1.1124 1.1124 1.6173 1.6173 1.6241 1.6241 3.1132 3.1132 3.1168 3.1168 3.4935 3.4935 3.4978 3.4978 3.6899 3.6899 3.6943 3.6943 9.3262 9.3262 9.3422 9.3422 10.1956 10.1956 10.2326 10.2326 10.8811 10.8811 k = 0.2634 0.4270 0.5363 ( 5004 PWs) bands (ev): -13.1577 -13.1577 -13.1571 -13.1571 -10.9216 -10.9216 -10.9187 -10.9187 -10.5502 -10.5502 -10.5485 -10.5485 -3.4114 -3.4114 -3.3967 -3.3967 -2.7373 -2.7373 -2.7140 -2.7140 -0.0415 -0.0415 -0.0260 -0.0260 0.1498 0.1498 0.1890 0.1890 1.0604 1.0604 1.0970 1.0970 1.6334 1.6334 1.6405 1.6405 3.1145 3.1145 3.1182 3.1182 3.4909 3.4909 3.4949 3.4949 3.7103 3.7103 3.7149 3.7149 9.3272 9.3272 9.3427 9.3427 10.1620 10.1620 10.1986 10.1986 10.9055 10.9055 k = 0.2543 0.4122 0.5363 ( 5004 PWs) bands (ev): -13.1643 -13.1643 -13.1636 -13.1636 -10.8842 -10.8842 -10.8813 -10.8813 -10.5762 -10.5762 -10.5744 -10.5744 -3.4736 -3.4736 -3.4593 -3.4593 -2.6762 -2.6762 -2.6519 -2.6519 -0.0545 -0.0545 -0.0395 -0.0395 0.1463 0.1463 0.1868 0.1868 1.0458 1.0458 1.0821 1.0821 1.6520 1.6520 1.6593 1.6593 3.1149 3.1149 3.1187 3.1187 3.4898 3.4898 3.4936 3.4936 3.7306 3.7306 3.7354 3.7354 9.3256 9.3256 9.3405 9.3405 10.1252 10.1252 10.1613 10.1613 10.9332 10.9332 k = 0.2452 0.3975 0.5363 ( 4996 PWs) bands (ev): -13.1709 -13.1709 -13.1702 -13.1702 -10.8461 -10.8461 -10.8431 -10.8431 -10.6016 -10.6016 -10.5999 -10.5999 -3.5367 -3.5367 -3.5229 -3.5229 -2.6163 -2.6163 -2.5911 -2.5911 -0.0682 -0.0682 -0.0538 -0.0538 0.1431 0.1431 0.1848 0.1848 1.0321 1.0321 1.0679 1.0679 1.6729 1.6729 1.6804 1.6804 3.1143 3.1143 3.1183 3.1183 3.4903 3.4903 3.4938 3.4938 3.7506 3.7506 3.7557 3.7557 9.3216 9.3216 9.3360 9.3360 10.0854 10.0854 10.1208 10.1208 10.9637 10.9637 k = 0.2362 0.3828 0.5363 ( 5010 PWs) bands (ev): -13.1777 -13.1777 -13.1770 -13.1770 -10.8075 -10.8075 -10.8044 -10.8044 -10.6263 -10.6263 -10.6247 -10.6247 -3.6006 -3.6006 -3.5873 -3.5873 -2.5578 -2.5578 -2.5317 -2.5317 -0.0827 -0.0827 -0.0689 -0.0689 0.1406 0.1406 0.1832 0.1832 1.0195 1.0195 1.0547 1.0547 1.6960 1.6960 1.7037 1.7037 3.1131 3.1131 3.1171 3.1171 3.4922 3.4922 3.4954 3.4954 3.7703 3.7703 3.7756 3.7756 9.3156 9.3156 9.3293 9.3293 10.0428 10.0428 10.0775 10.0775 10.9963 10.9963 k = 0.2271 0.3681 0.5363 ( 5010 PWs) bands (ev): -13.1845 -13.1845 -13.1838 -13.1838 -10.7684 -10.7684 -10.7652 -10.7652 -10.6503 -10.6503 -10.6488 -10.6488 -3.6650 -3.6650 -3.6522 -3.6522 -2.5008 -2.5008 -2.4741 -2.4741 -0.0982 -0.0982 -0.0849 -0.0849 0.1386 0.1386 0.1820 0.1820 1.0081 1.0081 1.0425 1.0425 1.7211 1.7211 1.7291 1.7291 3.1112 3.1112 3.1154 3.1154 3.4953 3.4953 3.4982 3.4982 3.7894 3.7894 3.7950 3.7950 9.3077 9.3077 9.3209 9.3209 9.9977 9.9977 10.0317 10.0317 11.0301 11.0301 k = 0.2180 0.3533 0.5363 ( 5006 PWs) bands (ev): -13.1913 -13.1913 -13.1906 -13.1906 -10.7291 -10.7291 -10.7258 -10.7258 -10.6734 -10.6734 -10.6721 -10.6721 -3.7297 -3.7297 -3.7175 -3.7175 -2.4457 -2.4457 -2.4183 -2.4183 -0.1145 -0.1145 -0.1018 -0.1018 0.1374 0.1374 0.1813 0.1813 0.9981 0.9981 1.0317 1.0317 1.7480 1.7480 1.7562 1.7562 3.1090 3.1090 3.1132 3.1132 3.4996 3.4996 3.5021 3.5021 3.8080 3.8080 3.8137 3.8137 9.2983 9.2983 9.3110 9.3110 9.9507 9.9507 9.9838 9.9838 11.0644 11.0644 k = 0.2089 0.3386 0.5363 ( 5006 PWs) bands (ev): -13.1982 -13.1982 -13.1975 -13.1975 -10.6992 -10.6992 -10.6960 -10.6960 -10.6861 -10.6861 -10.6847 -10.6847 -3.7945 -3.7945 -3.7829 -3.7829 -2.3926 -2.3926 -2.3646 -2.3646 -0.1316 -0.1316 -0.1195 -0.1195 0.1369 0.1369 0.1812 0.1812 0.9896 0.9896 1.0223 1.0223 1.7764 1.7764 1.7848 1.7848 3.1065 3.1065 3.1109 3.1109 3.5048 3.5048 3.5071 3.5071 3.8258 3.8258 3.8318 3.8318 9.2876 9.2876 9.2998 9.2998 9.9020 9.9020 9.9342 9.9342 11.0983 11.0983 k = 0.1998 0.3239 0.5363 ( 5006 PWs) bands (ev): -13.2050 -13.2050 -13.2043 -13.2043 -10.7187 -10.7187 -10.7170 -10.7170 -10.6484 -10.6484 -10.6457 -10.6457 -3.8593 -3.8593 -3.8482 -3.8482 -2.3415 -2.3415 -2.3132 -2.3132 -0.1495 -0.1495 -0.1379 -0.1379 0.1373 0.1373 0.1818 0.1818 0.9826 0.9826 1.0144 1.0144 1.8060 1.8060 1.8145 1.8145 3.1040 3.1040 3.1085 3.1085 3.5110 3.5110 3.5130 3.5130 3.8429 3.8429 3.8491 3.8491 9.2759 9.2759 9.2876 9.2876 9.8521 9.8521 9.8833 9.8833 11.1311 11.1311 k = 0.1907 0.3092 0.5363 ( 5010 PWs) bands (ev): -13.2118 -13.2118 -13.2111 -13.2111 -10.7395 -10.7395 -10.7379 -10.7379 -10.6086 -10.6086 -10.6058 -10.6058 -3.9237 -3.9237 -3.9132 -3.9132 -2.2927 -2.2927 -2.2642 -2.2642 -0.1680 -0.1680 -0.1570 -0.1570 0.1386 0.1386 0.1830 0.1830 0.9773 0.9773 1.0079 1.0079 1.8365 1.8365 1.8451 1.8451 3.1016 3.1016 3.1063 3.1063 3.5180 3.5180 3.5197 3.5197 3.8591 3.8591 3.8655 3.8655 9.2631 9.2631 9.2744 9.2744 9.8013 9.8013 9.8316 9.8316 11.1619 11.1619 k = 0.1817 0.2944 0.5363 ( 5018 PWs) bands (ev): -13.2185 -13.2185 -13.2179 -13.2179 -10.7594 -10.7594 -10.7580 -10.7580 -10.5689 -10.5689 -10.5661 -10.5661 -3.9875 -3.9875 -3.9776 -3.9776 -2.2462 -2.2462 -2.2176 -2.2176 -0.1872 -0.1872 -0.1766 -0.1766 0.1409 0.1409 0.1849 0.1849 0.9734 0.9734 1.0029 1.0029 1.8675 1.8675 1.8762 1.8762 3.0998 3.0998 3.1046 3.1046 3.5256 3.5256 3.5270 3.5270 3.8743 3.8743 3.8809 3.8809 9.2496 9.2496 9.2604 9.2604 9.7502 9.7502 9.7794 9.7794 11.1902 11.1902 k = 0.1726 0.2797 0.5363 ( 5022 PWs) bands (ev): -13.2252 -13.2252 -13.2245 -13.2245 -10.7785 -10.7785 -10.7771 -10.7771 -10.5294 -10.5294 -10.5266 -10.5266 -4.0506 -4.0506 -4.0413 -4.0413 -2.2022 -2.2022 -2.1736 -2.1736 -0.2067 -0.2067 -0.1967 -0.1967 0.1440 0.1440 0.1875 0.1875 0.9711 0.9711 0.9993 0.9993 1.8986 1.8986 1.9073 1.9073 3.0986 3.0986 3.1036 3.1036 3.5337 3.5337 3.5348 3.5348 3.8885 3.8885 3.8953 3.8953 9.2353 9.2353 9.2457 9.2457 9.6990 9.6990 9.7271 9.7271 11.2156 11.2156 k = 0.1635 0.2650 0.5363 ( 5018 PWs) bands (ev): -13.2317 -13.2317 -13.2310 -13.2310 -10.7967 -10.7967 -10.7954 -10.7954 -10.4903 -10.4903 -10.4876 -10.4876 -4.1126 -4.1126 -4.1038 -4.1038 -2.1606 -2.1606 -2.1323 -2.1323 -0.2265 -0.2265 -0.2170 -0.2170 0.1481 0.1481 0.1909 0.1909 0.9701 0.9701 0.9971 0.9971 1.9295 1.9295 1.9380 1.9380 3.0983 3.0983 3.1035 3.1035 3.5422 3.5422 3.5431 3.5431 3.9017 3.9017 3.9087 3.9087 9.2203 9.2203 9.2303 9.2303 9.6482 9.6482 9.6751 9.6751 11.2379 11.2379 k = 0.1544 0.2503 0.5363 ( 5024 PWs) bands (ev): -13.2380 -13.2380 -13.2374 -13.2374 -10.8140 -10.8140 -10.8127 -10.8127 -10.4519 -10.4519 -10.4492 -10.4492 -4.1733 -4.1733 -4.1651 -4.1651 -2.1216 -2.1216 -2.0937 -2.0937 -0.2464 -0.2464 -0.2373 -0.2373 0.1531 0.1531 0.1949 0.1949 0.9704 0.9704 0.9960 0.9960 1.9595 1.9595 1.9680 1.9680 3.0992 3.0992 3.1047 3.1047 3.5510 3.5510 3.5516 3.5516 3.9138 3.9138 3.9209 3.9209 9.2047 9.2047 9.2143 9.2143 9.5981 9.5981 9.6238 9.6238 11.2571 11.2571 k = 0.1453 0.2356 0.5363 ( 5020 PWs) bands (ev): -13.2442 -13.2442 -13.2436 -13.2436 -10.8303 -10.8303 -10.8291 -10.8291 -10.4142 -10.4142 -10.4116 -10.4116 -4.2324 -4.2324 -4.2248 -4.2248 -2.0851 -2.0851 -2.0578 -2.0578 -0.2661 -0.2661 -0.2576 -0.2576 0.1590 0.1590 0.1996 0.1996 0.9718 0.9718 0.9960 0.9960 1.9885 1.9885 1.9966 1.9966 3.1015 3.1015 3.1072 3.1072 3.5599 3.5599 3.5603 3.5603 3.9248 3.9248 3.9320 3.9320 9.1885 9.1885 9.1978 9.1978 9.5490 9.5490 9.5735 9.5735 11.2736 11.2736 k = 0.1362 0.2208 0.5363 ( 5016 PWs) bands (ev): -13.2502 -13.2502 -13.2496 -13.2496 -10.8456 -10.8456 -10.8445 -10.8445 -10.3775 -10.3775 -10.3749 -10.3749 -4.2897 -4.2897 -4.2827 -4.2827 -2.0512 -2.0512 -2.0247 -2.0247 -0.2857 -0.2857 -0.2776 -0.2776 0.1657 0.1657 0.2049 0.2049 0.9741 0.9741 0.9970 0.9970 2.0159 2.0159 2.0237 2.0237 3.1054 3.1054 3.1114 3.1114 3.5689 3.5689 3.5692 3.5692 3.9346 3.9346 3.9420 3.9420 9.1718 9.1718 9.1807 9.1807 9.5014 9.5014 9.5246 9.5246 11.2880 11.2880 k = 0.1272 0.2061 0.5363 ( 4990 PWs) bands (ev): -13.2559 -13.2559 -13.2553 -13.2553 -10.8599 -10.8599 -10.8589 -10.8589 -10.3418 -10.3418 -10.3394 -10.3394 -4.3449 -4.3449 -4.3385 -4.3385 -2.0198 -2.0198 -1.9942 -1.9942 -0.3047 -0.3047 -0.2972 -0.2972 0.1730 0.1730 0.2106 0.2106 0.9773 0.9773 0.9988 0.9988 2.0413 2.0413 2.0488 2.0488 3.1111 3.1111 3.1173 3.1173 3.5779 3.5779 3.5779 3.5779 3.9434 3.9434 3.9507 3.9507 9.1547 9.1547 9.1631 9.1631 9.4554 9.4554 9.4773 9.4773 11.3007 11.3007 k = 0.1181 0.1914 0.5363 ( 4994 PWs) bands (ev): -13.2613 -13.2613 -13.2608 -13.2608 -10.8733 -10.8733 -10.8723 -10.8723 -10.3076 -10.3076 -10.3052 -10.3052 -4.3978 -4.3978 -4.3919 -4.3919 -1.9909 -1.9909 -1.9664 -1.9664 -0.3231 -0.3231 -0.3161 -0.3161 0.1810 0.1810 0.2167 0.2167 0.9812 0.9812 1.0011 1.0011 2.0646 2.0646 2.0716 2.0716 3.1185 3.1185 3.1250 3.1250 3.5866 3.5866 3.5867 3.5867 3.9510 3.9510 3.9584 3.9584 9.1372 9.1372 9.1452 9.1452 9.4115 9.4115 9.4320 9.4320 11.3126 11.3126 k = 0.1090 0.1767 0.5363 ( 4982 PWs) bands (ev): -13.2665 -13.2665 -13.2660 -13.2660 -10.8856 -10.8856 -10.8847 -10.8847 -10.2748 -10.2748 -10.2726 -10.2726 -4.4481 -4.4481 -4.4427 -4.4427 -1.9644 -1.9644 -1.9412 -1.9412 -0.3408 -0.3408 -0.3343 -0.3343 0.1894 0.1894 0.2231 0.2231 0.9855 0.9855 1.0040 1.0040 2.0855 2.0855 2.0919 2.0919 3.1278 3.1278 3.1344 3.1344 3.5950 3.5950 3.5952 3.5952 3.9576 3.9576 3.9649 3.9649 9.1195 9.1195 9.1271 9.1271 9.3697 9.3697 9.3888 9.3888 11.3241 11.3241 k = 0.0999 0.1619 0.5363 ( 4978 PWs) bands (ev): -13.2714 -13.2714 -13.2709 -13.2709 -10.8970 -10.8970 -10.8961 -10.8961 -10.2437 -10.2437 -10.2417 -10.2417 -4.4955 -4.4955 -4.4906 -4.4906 -1.9403 -1.9403 -1.9185 -1.9185 -0.3576 -0.3576 -0.3516 -0.3516 0.1981 0.1981 0.2297 0.2297 0.9902 0.9902 1.0071 1.0071 2.1039 2.1039 2.1097 2.1097 3.1386 3.1386 3.1454 3.1454 3.6032 3.6032 3.6034 3.6034 3.9631 3.9631 3.9703 3.9703 9.1018 9.1018 9.1090 9.1090 9.3305 9.3305 9.3481 9.3481 11.3358 11.3358 k = 0.0908 0.1472 0.5363 ( 4978 PWs) bands (ev): -13.2759 -13.2759 -13.2755 -13.2755 -10.9073 -10.9073 -10.9066 -10.9066 -10.2146 -10.2146 -10.2126 -10.2126 -4.5398 -4.5398 -4.5354 -4.5354 -1.9185 -1.9185 -1.8983 -1.8983 -0.3733 -0.3733 -0.3678 -0.3678 0.2069 0.2069 0.2362 0.2362 0.9950 0.9950 1.0105 1.0105 2.1196 2.1196 2.1248 2.1248 3.1509 3.1509 3.1577 3.1577 3.6109 3.6109 3.6112 3.6112 3.9676 3.9676 3.9746 3.9746 9.0843 9.0843 9.0911 9.0911 9.2940 9.2940 9.3102 9.3102 11.3480 11.3480 k = 0.0817 0.1325 0.5363 ( 4976 PWs) bands (ev): -13.2800 -13.2800 -13.2796 -13.2796 -10.9167 -10.9167 -10.9160 -10.9160 -10.1875 -10.1875 -10.1857 -10.1857 -4.5807 -4.5807 -4.5768 -4.5768 -1.8990 -1.8990 -1.8804 -1.8804 -0.3878 -0.3878 -0.3829 -0.3829 0.2158 0.2158 0.2426 0.2426 0.9999 0.9999 1.0139 1.0139 2.1329 2.1329 2.1375 2.1375 3.1643 3.1643 3.1711 3.1711 3.6182 3.6182 3.6185 3.6185 3.9713 3.9713 3.9780 3.9780 9.0673 9.0673 9.0735 9.0735 9.2604 9.2604 9.2750 9.2750 11.3608 11.3608 k = 0.0727 0.1178 0.5363 ( 4984 PWs) bands (ev): -13.2838 -13.2838 -13.2835 -13.2835 -10.9251 -10.9251 -10.9245 -10.9245 -10.1626 -10.1626 -10.1610 -10.1610 -4.6180 -4.6180 -4.6146 -4.6146 -1.8817 -1.8817 -1.8649 -1.8649 -0.4011 -0.4011 -0.3967 -0.3967 0.2245 0.2245 0.2486 0.2486 1.0048 1.0048 1.0172 1.0172 2.1439 2.1439 2.1479 2.1479 3.1784 3.1784 3.1849 3.1849 3.6249 3.6249 3.6252 3.6252 3.9741 3.9741 3.9804 3.9804 9.0511 9.0511 9.0567 9.0567 9.2299 9.2299 9.2430 9.2430 11.3740 11.3740 k = 0.0636 0.1031 0.5363 ( 4996 PWs) bands (ev): -13.2872 -13.2872 -13.2869 -13.2869 -10.9324 -10.9324 -10.9319 -10.9319 -10.1403 -10.1403 -10.1388 -10.1388 -4.6515 -4.6515 -4.6486 -4.6486 -1.8664 -1.8664 -1.8515 -1.8515 -0.4130 -0.4130 -0.4091 -0.4091 0.2328 0.2328 0.2542 0.2542 1.0094 1.0094 1.0203 1.0203 2.1527 2.1527 2.1561 2.1561 3.1926 3.1926 3.1988 3.1988 3.6309 3.6309 3.6313 3.6313 3.9762 3.9762 3.9821 3.9821 9.0358 9.0358 9.0409 9.0409 9.2027 9.2027 9.2143 9.2143 11.3875 11.3875 k = 0.0545 0.0883 0.5363 ( 4992 PWs) bands (ev): -13.2901 -13.2901 -13.2899 -13.2899 -10.9388 -10.9388 -10.9384 -10.9384 -10.1205 -10.1205 -10.1192 -10.1192 -4.6810 -4.6810 -4.6785 -4.6785 -1.8532 -1.8532 -1.8403 -1.8403 -0.4234 -0.4234 -0.4201 -0.4201 0.2406 0.2406 0.2592 0.2592 1.0138 1.0138 1.0231 1.0231 2.1596 2.1596 2.1624 2.1624 3.2065 3.2065 3.2122 3.2122 3.6364 3.6364 3.6367 3.6367 3.9778 3.9778 3.9830 3.9830 9.0219 9.0219 9.0264 9.0264 9.1790 9.1790 9.1889 9.1889 11.4009 11.4009 k = 0.0454 0.0736 0.5363 ( 5006 PWs) bands (ev): -13.2927 -13.2927 -13.2924 -13.2924 -10.9442 -10.9442 -10.9438 -10.9438 -10.1034 -10.1034 -10.1024 -10.1024 -4.7063 -4.7063 -4.7042 -4.7042 -1.8420 -1.8420 -1.8311 -1.8311 -0.4323 -0.4323 -0.4295 -0.4295 0.2478 0.2478 0.2634 0.2634 1.0177 1.0177 1.0255 1.0255 2.1649 2.1649 2.1672 2.1672 3.2195 3.2195 3.2246 3.2246 3.6410 3.6410 3.6414 3.6414 3.9788 3.9788 3.9834 3.9834 9.0097 9.0097 9.0134 9.0134 9.1588 9.1588 9.1671 9.1671 11.4137 11.4137 k = 0.0363 0.0589 0.5363 ( 5006 PWs) bands (ev): -13.2947 -13.2947 -13.2945 -13.2945 -10.9486 -10.9486 -10.9483 -10.9483 -10.0893 -10.0893 -10.0884 -10.0884 -4.7271 -4.7271 -4.7255 -4.7255 -1.8327 -1.8327 -1.8239 -1.8239 -0.4396 -0.4396 -0.4374 -0.4374 0.2542 0.2542 0.2668 0.2668 1.0212 1.0212 1.0275 1.0275 2.1689 2.1689 2.1707 2.1707 3.2311 3.2311 3.2354 3.2354 3.6449 3.6449 3.6452 3.6452 3.9796 3.9796 3.9834 3.9834 8.9993 8.9993 9.0023 9.0023 9.1423 9.1423 9.1490 9.1490 11.4253 11.4253 k = 0.0272 0.0442 0.5363 ( 4998 PWs) bands (ev): -13.2963 -13.2963 -13.2962 -13.2962 -10.9520 -10.9520 -10.9518 -10.9518 -10.0781 -10.0781 -10.0775 -10.0775 -4.7435 -4.7435 -4.7422 -4.7422 -1.8253 -1.8253 -1.8186 -1.8186 -0.4453 -0.4453 -0.4436 -0.4436 0.2597 0.2597 0.2692 0.2692 1.0242 1.0242 1.0289 1.0289 2.1718 2.1718 2.1731 2.1731 3.2409 3.2409 3.2442 3.2442 3.6480 3.6480 3.6482 3.6482 3.9802 3.9802 3.9831 3.9831 8.9911 8.9911 8.9934 8.9934 9.1295 9.1295 9.1346 9.1346 11.4351 11.4351 k = 0.0182 0.0294 0.5363 ( 5002 PWs) bands (ev): -13.2975 -13.2975 -13.2974 -13.2974 -10.9545 -10.9545 -10.9543 -10.9543 -10.0700 -10.0700 -10.0696 -10.0696 -4.7551 -4.7551 -4.7543 -4.7543 -1.8197 -1.8197 -1.8152 -1.8152 -0.4493 -0.4493 -0.4482 -0.4482 0.2641 0.2641 0.2705 0.2705 1.0265 1.0265 1.0297 1.0297 2.1737 2.1737 2.1745 2.1745 3.2483 3.2483 3.2506 3.2506 3.6503 3.6503 3.6504 3.6504 3.9806 3.9806 3.9826 3.9826 8.9851 8.9851 8.9867 8.9867 9.1206 9.1206 9.1240 9.1240 11.4426 11.4427 k = 0.0091 0.0147 0.5363 ( 5014 PWs) bands (ev): -13.2982 -13.2982 -13.2981 -13.2981 -10.9559 -10.9559 -10.9558 -10.9558 -10.0651 -10.0651 -10.0649 -10.0649 -4.7621 -4.7621 -4.7617 -4.7617 -1.8159 -1.8159 -1.8136 -1.8136 -0.4516 -0.4516 -0.4510 -0.4510 0.2674 0.2674 0.2706 0.2706 1.0283 1.0283 1.0298 1.0298 2.1749 2.1749 2.1753 2.1753 3.2531 3.2531 3.2543 3.2543 3.6516 3.6516 3.6517 3.6517 3.9811 3.9811 3.9821 3.9821 8.9817 8.9817 8.9825 8.9825 9.1156 9.1156 9.1173 9.1173 11.4474 11.4475 k = 0.0000 0.0000 0.5363 ( 5010 PWs) bands (ev): -13.2984 -13.2984 -13.2984 -13.2984 -10.9564 -10.9564 -10.9564 -10.9564 -10.0634 -10.0634 -10.0634 -10.0634 -4.7643 -4.7643 -4.7643 -4.7643 -1.8139 -1.8139 -1.8139 -1.8139 -0.4522 -0.4522 -0.4522 -0.4522 0.2696 0.2696 0.2696 0.2696 1.0294 1.0294 1.0294 1.0294 2.1754 2.1754 2.1754 2.1754 3.2552 3.2552 3.2552 3.2552 3.6521 3.6521 3.6521 3.6521 3.9816 3.9816 3.9816 3.9816 8.9808 8.9808 8.9808 8.9808 9.1145 9.1145 9.1145 9.1145 11.4492 11.4492 k = 0.0000 0.0000 0.5363 ( 5010 PWs) bands (ev): -13.2984 -13.2984 -13.2984 -13.2984 -10.9564 -10.9564 -10.9564 -10.9564 -10.0634 -10.0634 -10.0634 -10.0634 -4.7643 -4.7643 -4.7643 -4.7643 -1.8139 -1.8139 -1.8139 -1.8139 -0.4522 -0.4522 -0.4522 -0.4522 0.2696 0.2696 0.2696 0.2696 1.0294 1.0294 1.0294 1.0294 2.1754 2.1754 2.1754 2.1754 3.2552 3.2552 3.2552 3.2552 3.6521 3.6521 3.6521 3.6521 3.9816 3.9816 3.9816 3.9816 8.9808 8.9808 8.9808 8.9808 9.1145 9.1145 9.1145 9.1145 11.4492 11.4492 k = 0.0000 0.0000 0.5190 ( 5010 PWs) bands (ev): -13.3178 -13.3178 -13.2793 -13.2793 -10.9926 -10.9926 -10.9186 -10.9186 -10.0656 -10.0656 -10.0617 -10.0617 -4.7648 -4.7648 -4.7604 -4.7604 -1.9474 -1.9474 -1.6816 -1.6816 -0.4901 -0.4901 -0.4153 -0.4153 0.2258 0.2258 0.3155 0.3155 1.0119 1.0119 1.0410 1.0410 2.1713 2.1713 2.1811 2.1811 3.2445 3.2445 3.2661 3.2661 3.6459 3.6459 3.6580 3.6580 3.9688 3.9688 3.9924 3.9924 8.9446 8.9446 9.0141 9.0141 9.1161 9.1161 9.1243 9.1243 11.4187 11.4187 k = 0.0000 0.0000 0.5017 ( 5013 PWs) bands (ev): -13.3375 -13.3375 -13.2605 -13.2605 -11.0274 -11.0274 -10.8793 -10.8793 -10.0684 -10.0684 -10.0605 -10.0605 -4.7618 -4.7618 -4.7529 -4.7529 -2.0816 -2.0816 -1.5512 -1.5512 -0.5289 -0.5289 -0.3800 -0.3800 0.1843 0.1843 0.3631 0.3631 0.9888 0.9888 1.0463 1.0463 2.1689 2.1689 2.1885 2.1885 3.2342 3.2342 3.2771 3.2771 3.6394 3.6394 3.6634 3.6634 3.9540 3.9540 4.0011 4.0011 8.9053 8.9053 9.0449 9.0449 9.1291 9.1291 9.1453 9.1453 11.3839 11.3839 k = 0.0000 0.0000 0.4844 ( 5011 PWs) bands (ev): -13.3573 -13.3573 -13.2422 -13.2422 -11.0607 -11.0607 -10.8387 -10.8387 -10.0716 -10.0716 -10.0599 -10.0599 -4.7553 -4.7553 -4.7420 -4.7420 -2.2163 -2.2163 -1.4234 -1.4234 -0.5684 -0.5684 -0.3466 -0.3466 0.1458 0.1458 0.4121 0.4121 0.9608 0.9608 1.0452 1.0452 2.1681 2.1681 2.1977 2.1977 3.2242 3.2242 3.2882 3.2882 3.6328 3.6328 3.6682 3.6682 3.9375 3.9375 4.0078 4.0078 8.8626 8.8626 9.0737 9.0737 9.1533 9.1533 9.1772 9.1772 11.3446 11.3446 k = 0.0000 0.0000 0.4671 ( 5005 PWs) bands (ev): -13.3772 -13.3772 -13.2243 -13.2243 -11.0924 -11.0924 -10.7966 -10.7966 -10.0753 -10.0753 -10.0597 -10.0597 -4.7455 -4.7455 -4.7275 -4.7275 -2.3508 -2.3508 -1.2991 -1.2991 -0.6083 -0.6083 -0.3155 -0.3155 0.1109 0.1109 0.4624 0.4624 0.9285 0.9285 1.0376 1.0376 2.1687 2.1687 2.2087 2.2087 3.2148 3.2148 3.2993 3.2993 3.6264 3.6264 3.6723 3.6723 3.9193 3.9193 4.0123 4.0123 8.8164 8.8164 9.1005 9.1005 9.1884 9.1884 9.2199 9.2199 11.3007 11.3007 k = 0.0000 0.0000 0.4498 ( 5001 PWs) bands (ev): -13.3972 -13.3972 -13.2069 -13.2069 -11.1226 -11.1226 -10.7533 -10.7533 -10.0794 -10.0794 -10.0601 -10.0601 -4.7324 -4.7324 -4.7097 -4.7097 -2.4850 -2.4850 -1.1794 -1.1794 -0.6485 -0.6485 -0.2875 -0.2875 0.0804 0.0804 0.5137 0.5137 0.8929 0.8929 1.0237 1.0237 2.1707 2.1707 2.2213 2.2213 3.2060 3.2060 3.3101 3.3101 3.6203 3.6203 3.6756 3.6756 3.8997 3.8997 4.0148 4.0148 8.7668 8.7668 9.1254 9.1254 9.2340 9.2340 9.2732 9.2732 11.2525 11.2525 k = 0.0000 0.0000 0.4325 ( 5005 PWs) bands (ev): -13.4172 -13.4172 -13.1900 -13.1900 -11.1513 -11.1513 -10.7087 -10.7087 -10.0839 -10.0839 -10.0609 -10.0609 -4.7161 -4.7161 -4.6885 -4.6885 -2.6183 -2.6183 -1.0658 -1.0658 -0.6886 -0.6886 -0.2631 -0.2631 0.0555 0.0555 0.5658 0.5658 0.8550 0.8550 1.0035 1.0035 2.1740 2.1740 2.2358 2.2358 3.1979 3.1979 3.3206 3.3206 3.6147 3.6147 3.6783 3.6783 3.8787 3.8787 4.0153 4.0153 8.7136 8.7136 9.1483 9.1483 9.2897 9.2897 9.3367 9.3367 11.2003 11.2003 k = 0.0000 0.0000 0.4152 ( 5013 PWs) bands (ev): -13.4371 -13.4371 -13.1738 -13.1738 -11.1786 -11.1786 -10.6629 -10.6629 -10.0888 -10.0888 -10.0622 -10.0622 -4.6968 -4.6968 -4.6641 -4.6641 -2.7506 -2.7506 -0.9606 -0.9606 -0.7284 -0.7284 -0.2432 -0.2432 0.0379 0.0379 0.6184 0.6184 0.8161 0.8161 0.9775 0.9775 2.1785 2.1785 2.2519 2.2519 3.1906 3.1906 3.3306 3.3306 3.6096 3.6096 3.6803 3.6803 3.8567 3.8567 4.0137 4.0137 8.6570 8.6570 9.1694 9.1694 9.3549 9.3549 9.4101 9.4101 11.1445 11.1445 k = 0.0000 0.0000 0.3979 ( 5009 PWs) bands (ev): -13.4568 -13.4568 -13.1581 -13.1581 -11.2044 -11.2044 -10.6162 -10.6162 -10.0941 -10.0941 -10.0639 -10.0639 -4.6745 -4.6745 -4.6364 -4.6364 -2.8815 -2.8815 -0.8680 -0.8680 -0.7662 -0.7662 -0.2288 -0.2288 0.0298 0.0298 0.6710 0.6710 0.7781 0.7781 0.9461 0.9461 2.1840 2.1840 2.2696 2.2696 3.1842 3.1842 3.3399 3.3399 3.6052 3.6052 3.6817 3.6817 3.8339 3.8339 4.0103 4.0103 8.5970 8.5970 9.1888 9.1888 9.4288 9.4288 9.4928 9.4928 11.0854 11.0854 k = 0.0000 0.0000 0.3806 ( 5009 PWs) bands (ev): -13.4763 -13.4763 -13.1430 -13.1430 -11.2287 -11.2287 -10.5685 -10.5685 -10.0996 -10.0996 -10.0659 -10.0659 -4.6494 -4.6494 -4.6058 -4.6058 -3.0107 -3.0107 -0.8231 -0.8231 -0.7693 -0.7693 -0.2209 -0.2209 0.0336 0.0336 0.7170 0.7170 0.7487 0.7487 0.9097 0.9097 2.1905 2.1905 2.2890 2.2890 3.1788 3.1788 3.3483 3.3483 3.6016 3.6016 3.6826 3.6826 3.8108 3.8108 4.0050 4.0050 8.5338 8.5338 9.2068 9.2068 9.5107 9.5107 9.5841 9.5841 11.0236 11.0236 k = 0.0000 0.0000 0.3633 ( 5021 PWs) bands (ev): -13.4954 -13.4954 -13.1286 -13.1286 -11.2517 -11.2517 -10.5201 -10.5201 -10.1054 -10.1054 -10.0684 -10.0684 -4.6217 -4.6217 -4.5722 -4.5722 -3.1379 -3.1379 -0.8555 -0.8555 -0.7111 -0.7111 -0.2209 -0.2209 0.0518 0.0518 0.7025 0.7025 0.7831 0.7831 0.8694 0.8694 2.1977 2.1977 2.3097 2.3097 3.1745 3.1745 3.3554 3.3554 3.5988 3.5988 3.6830 3.6830 3.7876 3.7876 3.9981 3.9981 8.4677 8.4677 9.2235 9.2235 9.5997 9.5997 9.6835 9.6835 10.9596 10.9596 k = 0.0000 0.0000 0.3460 ( 5019 PWs) bands (ev): -13.5142 -13.5142 -13.1149 -13.1149 -11.2733 -11.2733 -10.4711 -10.4711 -10.1113 -10.1113 -10.0711 -10.0711 -4.5916 -4.5916 -4.5359 -4.5359 -3.2627 -3.2627 -0.8943 -0.8943 -0.6639 -0.6639 -0.2298 -0.2298 0.0860 0.0860 0.6751 0.6751 0.8168 0.8168 0.8438 0.8438 2.2055 2.2055 2.3318 2.3318 3.1715 3.1715 3.3610 3.3610 3.5967 3.5967 3.6831 3.6831 3.7651 3.7651 3.9897 3.9897 8.3989 8.3989 9.2390 9.2390 9.6949 9.6949 9.7902 9.7902 10.8938 10.8938 k = 0.0000 0.0000 0.3287 ( 5015 PWs) bands (ev): -13.5326 -13.5326 -13.1018 -13.1018 -11.2935 -11.2935 -10.4217 -10.4217 -10.1174 -10.1174 -10.0741 -10.0741 -4.5593 -4.5593 -4.4971 -4.4971 -3.3849 -3.3849 -0.9337 -0.9337 -0.6332 -0.6332 -0.2485 -0.2485 0.1355 0.1355 0.6527 0.6527 0.7736 0.7736 0.8928 0.8928 2.2137 2.2137 2.3550 2.3550 3.1698 3.1698 3.3645 3.3645 3.5954 3.5954 3.6830 3.6830 3.7436 3.7436 3.9800 3.9800 8.3277 8.3277 9.2535 9.2535 9.7950 9.7950 9.9038 9.9038 10.8267 10.8267 k = 0.0000 0.0000 0.3114 ( 5015 PWs) bands (ev): -13.5504 -13.5504 -13.0894 -13.0894 -11.3125 -11.3125 -10.3721 -10.3721 -10.1236 -10.1236 -10.0773 -10.0773 -4.5251 -4.5251 -4.4559 -4.4559 -3.5042 -3.5042 -0.9730 -0.9730 -0.6169 -0.6169 -0.2773 -0.2773 0.1974 0.1974 0.6368 0.6368 0.7234 0.7234 0.9465 0.9465 2.2222 2.2222 2.3791 2.3791 3.1695 3.1695 3.3656 3.3656 3.5948 3.5948 3.6827 3.6827 3.7238 3.7238 3.9692 3.9692 8.2545 8.2545 9.2671 9.2671 9.8987 9.8987 10.0234 10.0234 10.7587 10.7587 k = 0.0000 0.0000 0.2941 ( 5017 PWs) bands (ev): -13.5676 -13.5676 -13.0777 -13.0777 -11.3302 -11.3302 -10.3225 -10.3225 -10.1298 -10.1298 -10.0807 -10.0807 -4.4891 -4.4891 -4.4127 -4.4127 -3.6201 -3.6201 -1.0121 -1.0121 -0.6117 -0.6117 -0.3156 -0.3156 0.2680 0.2680 0.6273 0.6273 0.6712 0.6712 1.0003 1.0003 2.2308 2.2308 2.4038 2.4038 3.1709 3.1709 3.3638 3.3638 3.5947 3.5947 3.6822 3.6822 3.7065 3.7065 3.9575 3.9575 8.1799 8.1799 9.2799 9.2799 10.0046 10.0046 10.1484 10.1484 10.6904 10.6904 k = 0.0000 0.0000 0.2768 ( 5025 PWs) bands (ev): -13.5843 -13.5843 -13.0667 -13.0667 -11.3467 -11.3467 -10.2732 -10.2732 -10.1360 -10.1360 -10.0842 -10.0842 -4.4518 -4.4518 -4.3676 -4.3676 -3.7324 -3.7324 -1.0508 -1.0508 -0.6144 -0.6144 -0.3623 -0.3623 0.3433 0.3433 0.6163 0.6163 0.6256 0.6256 1.0537 1.0537 2.2392 2.2392 2.4290 2.4290 3.1738 3.1738 3.3587 3.3587 3.5953 3.5953 3.6815 3.6815 3.6923 3.6923 3.9452 3.9452 8.1041 8.1041 9.2920 9.2920 10.1107 10.1107 10.2783 10.2783 10.6223 10.6223 k = 0.0000 0.0000 0.2595 ( 5037 PWs) bands (ev): -13.6002 -13.6002 -13.0564 -13.0564 -11.3619 -11.3619 -10.2244 -10.2244 -10.1421 -10.1421 -10.0878 -10.0878 -4.4133 -4.4133 -4.3211 -4.3211 -3.8408 -3.8408 -1.0891 -1.0891 -0.6224 -0.6224 -0.4160 -0.4160 0.4197 0.4197 0.5646 0.5646 0.6263 0.6263 1.1066 1.1066 2.2472 2.2472 2.4541 2.4541 3.1785 3.1785 3.3501 3.3501 3.5963 3.5963 3.6787 3.6787 3.6835 3.6835 3.9325 3.9325 8.0279 8.0279 9.3035 9.3035 10.2143 10.2143 10.4124 10.4124 10.5547 10.5547 k = 0.0000 0.0000 0.2422 ( 5039 PWs) bands (ev): -13.6153 -13.6153 -13.0468 -13.0468 -11.3761 -11.3761 -10.1769 -10.1769 -10.1477 -10.1477 -10.0913 -10.0913 -4.3741 -4.3741 -4.2734 -4.2734 -3.9448 -3.9448 -1.1268 -1.1268 -0.6338 -0.6338 -0.4750 -0.4750 0.4828 0.4828 0.5248 0.5248 0.6325 0.6325 1.1588 1.1588 2.2546 2.2546 2.4790 2.4790 3.1848 3.1848 3.3382 3.3382 3.5977 3.5977 3.6719 3.6719 3.6821 3.6821 3.9198 3.9198 7.9517 7.9517 9.3143 9.3143 10.3122 10.3122 10.4886 10.4886 10.5501 10.5501 k = 0.0000 0.0000 0.2249 ( 5041 PWs) bands (ev): -13.6297 -13.6297 -13.0379 -13.0379 -11.3891 -11.3891 -10.1548 -10.1548 -10.1291 -10.1291 -10.0945 -10.0945 -4.3345 -4.3345 -4.2251 -4.2251 -4.0440 -4.0440 -1.1637 -1.1637 -0.6475 -0.6475 -0.5376 -0.5376 0.4507 0.4507 0.5781 0.5781 0.6428 0.6428 1.2100 1.2100 2.2613 2.2613 2.5032 2.5032 3.1928 3.1928 3.3234 3.3234 3.5994 3.5994 3.6673 3.6673 3.6818 3.6818 3.9074 3.9074 7.8761 7.8761 9.3247 9.3247 10.3959 10.3959 10.4286 10.4286 10.6906 10.6906 k = 0.0000 0.0000 0.2076 ( 5039 PWs) bands (ev): -13.6432 -13.6432 -13.0297 -13.0297 -11.4010 -11.4010 -10.1599 -10.1599 -10.1001 -10.1001 -10.0819 -10.0819 -4.2949 -4.2949 -4.1769 -4.1769 -4.1376 -4.1376 -1.1999 -1.1999 -0.6631 -0.6631 -0.6013 -0.6013 0.4005 0.4005 0.6373 0.6373 0.6659 0.6659 1.2600 1.2600 2.2670 2.2670 2.5264 2.5264 3.2022 3.2022 3.3062 3.3062 3.6013 3.6013 3.6652 3.6652 3.6818 3.6818 3.8956 3.8956 7.8019 7.8019 9.3347 9.3347 10.3581 10.3581 10.4777 10.4777 10.8336 10.8336 k = 0.0000 0.0000 0.1903 ( 5029 PWs) bands (ev): -13.6558 -13.6558 -13.0222 -13.0222 -11.4118 -11.4118 -10.1652 -10.1652 -10.1025 -10.1025 -10.0392 -10.0392 -4.2562 -4.2562 -4.2268 -4.2268 -4.1274 -4.1274 -1.2350 -1.2350 -0.6876 -0.6876 -0.6573 -0.6573 0.3513 0.3513 0.6592 0.6592 0.7247 0.7247 1.3085 1.3085 2.2716 2.2716 2.5483 2.5483 3.2128 3.2128 3.2875 3.2875 3.6035 3.6035 3.6653 3.6653 3.6819 3.6819 3.8847 3.8847 7.7295 7.7295 9.3443 9.3443 10.2981 10.2981 10.5330 10.5330 10.9784 10.9784 k = 0.0000 0.0000 0.1730 ( 5033 PWs) bands (ev): -13.6674 -13.6674 -13.0153 -13.0153 -11.4216 -11.4216 -10.1702 -10.1702 -10.1057 -10.1057 -9.9978 -9.9978 -4.3102 -4.3102 -4.2172 -4.2172 -4.0797 -4.0797 -1.2689 -1.2689 -0.7420 -0.7420 -0.6828 -0.6828 0.3043 0.3043 0.6733 0.6733 0.7875 0.7875 1.3553 1.3553 2.2749 2.2749 2.5687 2.5687 3.2241 3.2241 3.2681 3.2681 3.6057 3.6057 3.6670 3.6670 3.6822 3.6822 3.8750 3.8750 7.6599 7.6599 9.3535 9.3535 10.2405 10.2405 10.5685 10.5685 11.1243 11.1243 k = 0.0000 0.0000 0.1557 ( 5021 PWs) bands (ev): -13.6781 -13.6781 -13.0092 -13.0092 -11.4304 -11.4304 -10.1749 -10.1749 -10.1087 -10.1087 -9.9587 -9.9587 -4.3866 -4.3866 -4.1804 -4.1804 -4.0332 -4.0332 -1.3013 -1.3013 -0.8044 -0.8044 -0.6980 -0.6980 0.2603 0.2603 0.6866 0.6866 0.8463 0.8463 1.4000 1.4000 2.2769 2.2769 2.5874 2.5874 3.2349 3.2349 3.2494 3.2494 3.6080 3.6080 3.6698 3.6698 3.6826 3.6826 3.8668 3.8668 7.5936 7.5936 9.3624 9.3624 10.1862 10.1862 10.5854 10.5854 11.2707 11.2707 k = 0.0000 0.0000 0.1384 ( 5033 PWs) bands (ev): -13.6877 -13.6877 -13.0037 -13.0037 -11.4382 -11.4382 -10.1791 -10.1791 -10.1115 -10.1115 -9.9225 -9.9225 -4.4565 -4.4565 -4.1455 -4.1455 -3.9886 -3.9886 -1.3318 -1.3318 -0.8654 -0.8654 -0.7109 -0.7109 0.2198 0.2198 0.6992 0.6992 0.8999 0.8999 1.4423 1.4423 2.2775 2.2775 2.6041 2.6041 3.2278 3.2278 3.2493 3.2493 3.6102 3.6102 3.6733 3.6733 3.6831 3.6831 3.8603 3.8603 7.5315 7.5315 9.3710 9.3710 10.1356 10.1356 10.5881 10.5881 11.4171 11.4171 k = 0.0000 0.0000 0.1211 ( 5033 PWs) bands (ev): -13.6963 -13.6963 -12.9988 -12.9988 -11.4450 -11.4450 -10.1830 -10.1830 -10.1141 -10.1141 -9.8894 -9.8894 -4.5192 -4.5192 -4.1130 -4.1130 -3.9467 -3.9467 -1.3601 -1.3601 -0.9227 -0.9227 -0.7224 -0.7224 0.1832 0.1832 0.7110 0.7110 0.9478 0.9478 1.4817 1.4817 2.2769 2.2769 2.6188 2.6188 3.2103 3.2103 3.2600 3.2600 3.6123 3.6123 3.6771 3.6771 3.6837 3.6837 3.8555 3.8555 7.4742 7.4742 9.3792 9.3792 10.0893 10.0893 10.5814 10.5814 11.5626 11.5626 k = 0.0000 0.0000 0.1038 ( 5035 PWs) bands (ev): -13.7037 -13.7037 -12.9947 -12.9947 -11.4509 -11.4509 -10.1864 -10.1864 -10.1165 -10.1165 -9.8599 -9.8599 -4.5745 -4.5745 -4.0835 -4.0835 -3.9083 -3.9083 -1.3859 -1.3859 -0.9752 -0.9752 -0.7325 -0.7325 0.1508 0.1508 0.7216 0.7216 0.9897 0.9897 1.5177 1.5177 2.2751 2.2751 2.6316 2.6316 3.1939 3.1939 3.2702 3.2702 3.6143 3.6143 3.6809 3.6809 3.6843 3.6843 3.8524 3.8524 7.4227 7.4227 9.3870 9.3870 10.0477 10.0477 10.5696 10.5696 11.7058 11.7058 k = 0.0000 0.0000 0.0865 ( 5027 PWs) bands (ev): -13.7101 -13.7101 -12.9911 -12.9911 -11.4559 -11.4559 -10.1893 -10.1893 -10.1185 -10.1185 -9.8342 -9.8342 -4.6220 -4.6220 -4.0574 -4.0574 -3.8740 -3.8740 -1.4086 -1.4086 -1.0217 -1.0217 -0.7412 -0.7412 0.1230 0.1230 0.7310 0.7310 1.0255 1.0255 1.5498 1.5498 2.2724 2.2724 2.6423 2.6423 3.1795 3.1795 3.2792 3.2792 3.6160 3.6160 3.6843 3.6843 3.6851 3.6851 3.8508 3.8508 7.3776 7.3776 9.3941 9.3941 10.0113 10.0113 10.5560 10.5560 11.8317 11.8317 k = 0.0000 0.0000 0.0692 ( 5029 PWs) bands (ev): -13.7154 -13.7154 -12.9883 -12.9883 -11.4599 -11.4599 -10.1918 -10.1918 -10.1202 -10.1202 -9.8128 -9.8128 -4.6613 -4.6613 -4.0352 -4.0352 -3.8447 -3.8447 -1.4280 -1.4280 -1.0612 -1.0612 -0.7483 -0.7483 0.0999 0.0999 0.7389 0.7389 1.0549 1.0549 1.5773 1.5773 2.2693 2.2693 2.6510 2.6510 3.1673 3.1673 3.2866 3.2866 3.6174 3.6174 3.6853 3.6853 3.6879 3.6879 3.8503 3.8503 7.3395 7.3395 9.4005 9.4005 9.9806 9.9806 10.5426 10.5426 11.9145 11.9145 k = 0.0000 0.0000 0.0519 ( 5025 PWs) bands (ev): -13.7195 -13.7195 -12.9860 -12.9860 -11.4630 -11.4630 -10.1937 -10.1937 -10.1215 -10.1215 -9.7959 -9.7959 -4.6922 -4.6922 -4.0175 -4.0175 -3.8210 -3.8210 -1.4436 -1.4436 -1.0930 -1.0930 -0.7540 -0.7540 0.0817 0.0817 0.7451 0.7451 1.0779 1.0779 1.5996 1.5996 2.2662 2.2662 2.6578 2.6578 3.1575 3.1575 3.2924 3.2924 3.6186 3.6186 3.6857 3.6857 3.6905 3.6905 3.8506 3.8506 7.3092 7.3092 9.4059 9.4059 9.9560 9.9560 10.5310 10.5310 11.9820 11.9820 k = 0.0000 0.0000 0.0346 ( 5033 PWs) bands (ev): -13.7224 -13.7224 -12.9844 -12.9844 -11.4653 -11.4653 -10.1951 -10.1951 -10.1224 -10.1224 -9.7836 -9.7836 -4.7144 -4.7144 -4.0046 -4.0046 -3.8036 -3.8036 -1.4550 -1.4550 -1.1162 -1.1162 -0.7580 -0.7580 0.0687 0.0687 0.7496 0.7496 1.0943 1.0943 1.6160 1.6160 2.2635 2.2635 2.6625 2.6625 3.1505 3.1505 3.2965 3.2965 3.6194 3.6194 3.6861 3.6861 3.6925 3.6925 3.8512 3.8512 7.2872 7.2872 9.4099 9.4099 9.9381 9.9381 10.5220 10.5220 12.0336 12.0336 k = 0.0000 0.0000 0.0173 ( 5031 PWs) bands (ev): -13.7242 -13.7242 -12.9835 -12.9835 -11.4666 -11.4666 -10.1959 -10.1959 -10.1230 -10.1230 -9.7761 -9.7761 -4.7278 -4.7278 -3.9967 -3.9967 -3.7929 -3.7929 -1.4619 -1.4619 -1.1304 -1.1304 -0.7604 -0.7604 0.0608 0.0608 0.7524 0.7524 1.1042 1.1042 1.6261 1.6261 2.2616 2.2616 2.6654 2.6654 3.1462 3.1462 3.2989 3.2989 3.6200 3.6200 3.6863 3.6863 3.6937 3.6937 3.8518 3.8518 7.2738 7.2738 9.4125 9.4125 9.9272 9.9272 10.5165 10.5165 12.0662 12.0662 k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -13.7248 -13.7248 -12.9832 -12.9832 -11.4670 -11.4670 -10.1962 -10.1962 -10.1232 -10.1232 -9.7736 -9.7736 -4.7323 -4.7323 -3.9940 -3.9940 -3.7893 -3.7893 -1.4643 -1.4643 -1.1352 -1.1352 -0.7613 -0.7613 0.0582 0.0582 0.7533 0.7533 1.1075 1.1075 1.6296 1.6296 2.2610 2.2610 2.6664 2.6664 3.1447 3.1447 3.2997 3.2997 3.6201 3.6201 3.6863 3.6863 3.6941 3.6941 3.8520 3.8520 7.2693 7.2693 9.4134 9.4134 9.9235 9.9235 10.5146 10.5146 12.0773 12.0773 k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -13.7248 -13.7248 -12.9832 -12.9832 -11.4670 -11.4670 -10.1962 -10.1962 -10.1232 -10.1232 -9.7736 -9.7736 -4.7323 -4.7323 -3.9940 -3.9940 -3.7893 -3.7893 -1.4643 -1.4643 -1.1352 -1.1352 -0.7613 -0.7613 0.0582 0.0582 0.7533 0.7533 1.1075 1.1075 1.6296 1.6296 2.2610 2.2610 2.6664 2.6664 3.1447 3.1447 3.2997 3.2997 3.6201 3.6201 3.6863 3.6863 3.6941 3.6941 3.8520 3.8520 7.2693 7.2693 9.4134 9.4134 9.9235 9.9235 10.5146 10.5146 12.0773 12.0773 k =-0.0147 0.0091-0.0000 ( 5033 PWs) bands (ev): -13.7240 -13.7240 -12.9833 -12.9832 -11.4690 -11.4687 -10.1961 -10.1957 -10.1231 -10.1229 -9.7740 -9.7731 -4.7346 -4.7342 -3.9920 -3.9913 -3.7873 -3.7858 -1.4655 -1.4641 -1.1364 -1.1353 -0.7599 -0.7595 0.0573 0.0575 0.7483 0.7516 1.1079 1.1090 1.6309 1.6313 2.2610 2.2617 2.6637 2.6647 3.1459 3.1460 3.2996 3.2998 3.6156 3.6169 3.6864 3.6866 3.6938 3.6941 3.8524 3.8527 7.2736 7.2738 9.4102 9.4152 9.9237 9.9245 10.5151 10.5190 12.0739 12.0762 k =-0.0294 0.0181-0.0000 ( 5033 PWs) bands (ev): -13.7218 -13.7217 -12.9837 -12.9834 -11.4745 -11.4739 -10.1956 -10.1947 -10.1227 -10.1222 -9.7740 -9.7723 -4.7408 -4.7400 -3.9854 -3.9840 -3.7799 -3.7768 -1.4678 -1.4649 -1.1390 -1.1367 -0.7555 -0.7548 0.0547 0.0551 0.7366 0.7432 1.1101 1.1122 1.6352 1.6360 2.2618 2.2631 2.6566 2.6586 3.1496 3.1497 3.2995 3.2999 3.6034 3.6059 3.6866 3.6871 3.6934 3.6939 3.8540 3.8546 7.2867 7.2870 9.4056 9.4157 9.9251 9.9267 10.5206 10.5281 12.0659 12.0705 k =-0.0441 0.0272-0.0000 ( 5019 PWs) bands (ev): -13.7180 -13.7179 -12.9843 -12.9838 -11.4836 -11.4826 -10.1945 -10.1932 -10.1218 -10.1210 -9.7739 -9.7713 -4.7507 -4.7496 -3.9741 -3.9721 -3.7672 -3.7627 -1.4711 -1.4667 -1.1430 -1.1395 -0.7481 -0.7470 0.0505 0.0511 0.7186 0.7284 1.1141 1.1172 1.6425 1.6437 2.2632 2.2650 2.6450 2.6480 3.1556 3.1558 3.2993 3.3000 3.5841 3.5877 3.6866 3.6873 3.6934 3.6940 3.8566 3.8575 7.3082 7.3086 9.3999 9.4148 9.9282 9.9302 10.5306 10.5415 12.0534 12.0606 k =-0.0588 0.0363-0.0000 ( 5019 PWs) bands (ev): -13.7127 -13.7126 -12.9850 -12.9844 -11.4960 -11.4947 -10.1930 -10.1912 -10.1206 -10.1195 -9.7735 -9.7701 -4.7640 -4.7626 -3.9583 -3.9556 -3.7496 -3.7439 -1.4754 -1.4696 -1.1482 -1.1436 -0.7377 -0.7362 0.0446 0.0454 0.6946 0.7074 1.1198 1.1239 1.6526 1.6543 2.2650 2.2673 2.6289 2.6328 3.1637 3.1640 3.2992 3.3001 3.5583 3.5628 3.6858 3.6865 3.6946 3.6951 3.8600 3.8610 7.3377 7.3383 9.3931 9.4128 9.9333 9.9355 10.5445 10.5584 12.0355 12.0466 k =-0.0735 0.0454-0.0000 ( 5003 PWs) bands (ev): -13.7059 -13.7057 -12.9859 -12.9852 -11.5118 -11.5102 -10.1911 -10.1889 -10.1189 -10.1176 -9.7729 -9.7687 -4.7802 -4.7786 -3.9380 -3.9346 -3.7277 -3.7207 -1.4805 -1.4733 -1.1547 -1.1490 -0.7243 -0.7225 0.0370 0.0381 0.6651 0.6808 1.1273 1.1323 1.6655 1.6675 2.2671 2.2697 2.6080 2.6130 3.1739 3.1741 3.2990 3.3002 3.5270 3.5323 3.6840 3.6846 3.6973 3.6975 3.8640 3.8651 7.3748 7.3754 9.3856 9.4098 9.9407 9.9428 10.5617 10.5781 12.0064 12.0210 k =-0.0882 0.0544-0.0000 ( 5001 PWs) bands (ev): -13.6977 -13.6974 -12.9870 -12.9861 -11.5307 -11.5289 -10.1888 -10.1862 -10.1169 -10.1153 -9.7722 -9.7672 -4.7988 -4.7971 -3.9134 -3.9092 -3.7018 -3.6937 -1.4863 -1.4779 -1.1624 -1.1555 -0.7081 -0.7061 0.0278 0.0292 0.6305 0.6489 1.1364 1.1422 1.6811 1.6834 2.2691 2.2720 2.5823 2.5883 3.1857 3.1859 3.2987 3.3003 3.4910 3.4968 3.6813 3.6819 3.7010 3.7011 3.8684 3.8697 7.4187 7.4194 9.3778 9.4061 9.9508 9.9526 10.5813 10.5996 11.9520 11.9525 k =-0.1029 0.0635-0.0000 ( 5009 PWs) bands (ev): -13.6880 -13.6877 -12.9883 -12.9873 -11.5527 -11.5506 -10.1862 -10.1833 -10.1145 -10.1126 -9.7714 -9.7656 -4.8193 -4.8176 -3.8844 -3.8796 -3.6725 -3.6633 -1.4929 -1.4832 -1.1711 -1.1632 -0.6891 -0.6868 0.0170 0.0187 0.5916 0.6124 1.1471 1.1536 1.6992 1.7018 2.2709 2.2739 2.5516 2.5587 3.1987 3.1988 3.2983 3.3004 3.4515 3.4575 3.6779 3.6785 3.7058 3.7061 3.8732 3.8746 7.4687 7.4694 9.3698 9.4019 9.9638 9.9651 10.6022 10.6221 11.8829 11.8858 k =-0.1176 0.0726-0.0000 ( 5015 PWs) bands (ev): -13.6768 -13.6765 -12.9897 -12.9886 -11.5775 -11.5752 -10.1833 -10.1801 -10.1116 -10.1095 -9.7704 -9.7639 -4.8414 -4.8397 -3.8514 -3.8459 -3.6403 -3.6302 -1.5000 -1.4891 -1.1809 -1.1719 -0.6674 -0.6650 0.0045 0.0066 0.5487 0.5718 1.1592 1.1664 1.7196 1.7225 2.2723 2.2753 2.5159 2.5240 3.2124 3.2125 3.2975 3.3005 3.4095 3.4153 3.6739 3.6744 3.7119 3.7124 3.8784 3.8798 7.5241 7.5247 9.3623 9.3978 9.9799 9.9806 10.6237 10.6448 11.8139 11.8180 k =-0.1324 0.0817-0.0000 ( 5017 PWs) bands (ev): -13.6642 -13.6638 -12.9912 -12.9900 -11.6049 -11.6025 -10.1802 -10.1769 -10.1084 -10.1060 -9.7694 -9.7622 -4.8645 -4.8629 -3.8144 -3.8082 -3.6055 -3.5947 -1.5076 -1.4956 -1.1916 -1.1816 -0.6432 -0.6406 -0.0096 -0.0072 0.5026 0.5276 1.1726 1.1804 1.7424 1.7455 2.2731 2.2760 2.4750 2.4842 3.2262 3.2263 3.2954 3.3004 3.3668 3.3712 3.6691 3.6698 3.7195 3.7202 3.8837 3.8853 7.5841 7.5847 9.3555 9.3940 9.9992 9.9992 10.6447 10.6667 11.7463 11.7509 k =-0.1471 0.0907-0.0000 ( 5021 PWs) bands (ev): -13.6501 -13.6497 -12.9929 -12.9916 -11.6348 -11.6322 -10.1771 -10.1735 -10.1048 -10.1021 -9.7684 -9.7606 -4.8883 -4.8868 -3.7737 -3.7668 -3.5687 -3.5572 -1.5155 -1.5024 -1.2031 -1.1921 -0.6165 -0.6138 -0.0253 -0.0225 0.4536 0.4805 1.1872 1.1956 1.7672 1.7706 2.2732 2.2760 2.4291 2.4393 3.2393 3.2396 3.2880 3.2991 3.3270 3.3286 3.6637 3.6644 3.7289 3.7299 3.8893 3.8910 7.6480 7.6485 9.3498 9.3910 10.0210 10.0216 10.6645 10.6871 11.6805 11.6855 k =-0.1618 0.0998-0.0000 ( 5019 PWs) bands (ev): -13.6347 -13.6343 -12.9947 -12.9933 -11.6669 -11.6642 -10.1738 -10.1701 -10.1007 -10.0977 -9.7675 -9.7590 -4.9124 -4.9111 -3.7295 -3.7219 -3.5302 -3.5181 -1.5236 -1.5096 -1.2152 -1.2033 -0.5876 -0.5848 -0.0427 -0.0394 0.4022 0.4308 1.2028 1.2118 1.7941 1.7976 2.2726 2.2752 2.3784 2.3896 3.2478 3.2519 3.2637 3.2754 3.3046 3.3104 3.6577 3.6585 3.7404 3.7415 3.8951 3.8968 7.7151 7.7155 9.3456 9.3891 10.0460 10.0473 10.6822 10.7053 11.6170 11.6222 k =-0.1765 0.1089-0.0000 ( 5021 PWs) bands (ev): -13.6179 -13.6174 -12.9966 -12.9951 -11.7011 -11.6983 -10.1706 -10.1667 -10.0963 -10.0930 -9.7666 -9.7575 -4.9367 -4.9356 -3.6819 -3.6737 -3.4904 -3.4777 -1.5318 -1.5168 -1.2279 -1.2152 -0.5565 -0.5536 -0.0618 -0.0580 0.3491 0.3791 1.2193 1.2289 1.8228 1.8265 2.2712 2.2733 2.3234 2.3353 3.2151 3.2303 3.2624 3.2646 3.3036 3.3063 3.6509 3.6518 3.7540 3.7554 3.9009 3.9027 7.7846 7.7849 9.3433 9.3887 10.0742 10.0761 10.6971 10.7205 11.5561 11.5614 k =-0.1912 0.1179-0.0000 ( 5029 PWs) bands (ev): -13.5998 -13.5993 -12.9985 -12.9970 -11.7370 -11.7342 -10.1673 -10.1635 -10.0915 -10.0879 -9.7658 -9.7562 -4.9608 -4.9599 -3.6313 -3.6225 -3.4495 -3.4364 -1.5400 -1.5241 -1.2411 -1.2276 -0.5234 -0.5205 -0.0825 -0.0781 0.2945 0.3258 1.2366 1.2467 1.8532 1.8571 2.2592 2.2669 2.2757 2.2791 3.1707 3.1842 3.2706 3.2725 3.3038 3.3052 3.6435 3.6444 3.7700 3.7716 3.9069 3.9087 7.8560 7.8561 9.3431 9.3901 10.1053 10.1078 10.7084 10.7322 11.4980 11.5033 k =-0.2059 0.1270-0.0000 ( 5023 PWs) bands (ev): -13.5805 -13.5799 -13.0005 -12.9990 -11.7746 -11.7717 -10.1642 -10.1603 -10.0863 -10.0825 -9.7652 -9.7551 -4.9846 -4.9839 -3.5779 -3.5684 -3.4078 -3.3944 -1.5480 -1.5312 -1.2545 -1.2403 -0.4886 -0.4856 -0.1049 -0.1000 0.2390 0.2713 1.2544 1.2651 1.8850 1.8893 2.1988 2.2135 2.2678 2.2702 3.1256 3.1384 3.2762 3.2781 3.3043 3.3051 3.6354 3.6364 3.7884 3.7903 3.9128 3.9147 7.9286 7.9287 9.3452 9.3935 10.1394 10.1424 10.7156 10.7397 11.4429 11.4481 k =-0.2206 0.1361-0.0000 ( 5023 PWs) bands (ev): -13.5599 -13.5593 -13.0026 -13.0010 -11.8135 -11.8106 -10.1611 -10.1572 -10.0808 -10.0766 -9.7648 -9.7543 -5.0078 -5.0073 -3.5221 -3.5120 -3.3657 -3.3520 -1.5557 -1.5381 -1.2680 -1.2532 -0.4522 -0.4490 -0.1290 -0.1234 0.1828 0.2160 1.2726 1.2839 1.9181 1.9228 2.1329 2.1484 2.2647 2.2670 3.0808 3.0932 3.2790 3.2809 3.3049 3.3053 3.6266 3.6277 3.8091 3.8112 3.9187 3.9206 8.0018 8.0020 9.3499 9.3992 10.1761 10.1798 10.7181 10.7427 11.3910 11.3960 k =-0.2353 0.1452-0.0000 ( 5023 PWs) bands (ev): -13.5381 -13.5375 -13.0047 -13.0030 -11.8537 -11.8508 -10.1582 -10.1544 -10.0749 -10.0705 -9.7646 -9.7537 -5.0304 -5.0301 -3.4641 -3.4534 -3.3233 -3.3095 -1.5630 -1.5445 -1.2816 -1.2663 -0.4146 -0.4111 -0.1548 -0.1485 0.1265 0.1603 1.2911 1.3030 1.9515 1.9574 2.0652 2.0809 2.2616 2.2638 3.0365 3.0486 3.2789 3.2808 3.3054 3.3056 3.6172 3.6185 3.8318 3.8340 3.9246 3.9265 8.0751 8.0756 9.3572 9.4074 10.2155 10.2196 10.7155 10.7407 11.3424 11.3471 k =-0.2500 0.1542-0.0000 ( 5015 PWs) bands (ev): -13.5153 -13.5146 -13.0068 -13.0051 -11.8948 -11.8919 -10.1554 -10.1517 -10.0687 -10.0640 -9.7647 -9.7535 -5.0522 -5.0520 -3.4043 -3.3930 -3.2810 -3.2671 -1.5696 -1.5504 -1.2950 -1.2793 -0.3761 -0.3719 -0.1824 -0.1750 0.0703 0.1044 1.3097 1.3222 1.9752 1.9925 2.0065 2.0121 2.2585 2.2607 2.9931 3.0048 3.2760 3.2779 3.3058 3.3059 3.6074 3.6086 3.8562 3.8586 3.9304 3.9323 8.1481 8.1487 9.3674 9.4181 10.2571 10.2617 10.7076 10.7334 11.2971 11.3014 k =-0.2647 0.1633-0.0000 ( 5025 PWs) bands (ev): -13.4914 -13.4907 -13.0089 -13.0072 -11.9366 -11.9337 -10.1528 -10.1492 -10.0623 -10.0573 -9.7651 -9.7536 -5.0730 -5.0730 -3.3431 -3.3313 -3.2389 -3.2251 -1.5756 -1.5556 -1.3081 -1.2921 -0.3375 -0.3318 -0.2117 -0.2026 0.0147 0.0489 1.3281 1.3414 1.9192 1.9418 2.0270 2.0288 2.2559 2.2581 2.9503 2.9618 3.2703 3.2722 3.3061 3.3061 3.5970 3.5983 3.8819 3.8843 3.9360 3.9378 8.2203 8.2211 9.3805 9.4315 10.3008 10.3058 10.6941 10.7208 11.2551 11.2591 k =-0.2794 0.1724-0.0000 ( 5017 PWs) bands (ev): -13.4665 -13.4658 -13.0109 -13.0093 -11.9789 -11.9761 -10.1504 -10.1469 -10.0555 -10.0503 -9.7657 -9.7542 -5.0930 -5.0929 -3.2809 -3.2686 -3.1972 -3.1836 -1.5806 -1.5599 -1.3208 -1.3046 -0.3014 -0.2910 -0.2428 -0.2291 -0.0398 -0.0061 1.3462 1.3604 1.8491 1.8720 2.0612 2.0645 2.2541 2.2565 2.9084 2.9195 3.2618 3.2638 3.3064 3.3064 3.5864 3.5877 3.9084 3.9107 3.9417 3.9432 8.2912 8.2923 9.3964 9.4477 10.3462 10.3516 10.6753 10.7031 11.2164 11.2200 k =-0.2941 0.1815-0.0000 ( 5011 PWs) bands (ev): -13.4409 -13.4401 -13.0129 -13.0114 -12.0215 -12.0188 -10.1481 -10.1448 -10.0486 -10.0431 -9.7667 -9.7550 -5.1120 -5.1116 -3.2183 -3.2056 -3.1563 -3.1430 -1.5845 -1.5632 -1.3329 -1.3168 -0.2865 -0.2757 -0.2499 -0.2366 -0.0924 -0.0602 1.3636 1.3791 1.7790 1.8032 2.0950 2.0989 2.2543 2.2570 2.8674 2.8781 3.2508 3.2528 3.3066 3.3068 3.5755 3.5769 3.9351 3.9363 3.9482 3.9485 8.3606 8.3618 9.4154 9.4667 10.3928 10.3985 10.6515 10.6804 11.1808 11.1840 k =-0.3088 0.1905-0.0000 ( 5015 PWs) bands (ev): -13.4145 -13.4137 -13.0149 -13.0134 -12.0642 -12.0615 -10.1461 -10.1429 -10.0415 -10.0358 -9.7679 -9.7563 -5.1297 -5.1293 -3.1556 -3.1427 -3.1162 -3.1035 -1.5873 -1.5654 -1.3443 -1.3283 -0.3104 -0.3101 -0.2108 -0.2089 -0.1396 -0.1128 1.3800 1.3973 1.7103 1.7364 2.1258 2.1302 2.2582 2.2612 2.8273 2.8376 3.2373 3.2393 3.3070 3.3071 3.5646 3.5659 3.9498 3.9527 3.9627 3.9665 8.4279 8.4292 9.4374 9.4886 10.4397 10.4456 10.6235 10.6539 11.1484 11.1512 k =-0.3235 0.1996-0.0000 ( 5023 PWs) bands (ev): -13.3876 -13.3867 -13.0167 -13.0153 -12.1066 -12.1040 -10.1442 -10.1412 -10.0343 -10.0284 -9.7695 -9.7580 -5.1463 -5.1458 -3.0936 -3.0828 -3.0751 -3.0652 -1.5886 -1.5662 -1.3549 -1.3393 -0.3461 -0.3440 -0.2113 -0.1745 -0.1573 -0.1508 1.3949 1.4147 1.6438 1.6726 2.1507 2.1553 2.2687 2.2717 2.7883 2.7981 3.2217 3.2236 3.3073 3.3075 3.5537 3.5550 3.9551 3.9575 3.9888 3.9921 8.4927 8.4942 9.4623 9.5133 10.4840 10.4904 10.5943 10.6259 11.1189 11.1214 k =-0.3382 0.2087-0.0000 ( 5019 PWs) bands (ev): -13.3603 -13.3594 -13.0185 -13.0172 -12.1485 -12.1460 -10.1425 -10.1398 -10.0270 -10.0211 -9.7713 -9.7600 -5.1616 -5.1610 -3.0418 -3.0341 -3.0272 -3.0179 -1.5884 -1.5657 -1.3645 -1.3494 -0.3835 -0.3805 -0.2526 -0.2154 -0.1255 -0.1183 1.4069 1.4309 1.5804 1.6136 2.1674 2.1716 2.2883 2.2908 2.7507 2.7600 3.2041 3.2060 3.3077 3.3079 3.5431 3.5443 3.9596 3.9618 4.0143 4.0174 8.5546 8.5562 9.4902 9.5408 10.5094 10.5217 10.5803 10.6078 11.0924 11.0945 k =-0.3529 0.2178-0.0000 ( 5011 PWs) bands (ev): -13.3328 -13.3320 -13.0202 -13.0189 -12.1896 -12.1872 -10.1410 -10.1385 -10.0197 -10.0138 -9.7733 -9.7623 -5.1756 -5.1750 -3.0063 -2.9950 -2.9724 -2.9589 -1.5866 -1.5637 -1.3731 -1.3588 -0.4219 -0.4186 -0.2969 -0.2624 -0.0863 -0.0807 1.4133 1.4448 1.5221 1.5625 2.1763 2.1797 2.3162 2.3180 2.7146 2.7233 3.1847 3.1866 3.3081 3.3083 3.5328 3.5340 3.9637 3.9657 4.0387 4.0417 8.6133 8.6150 9.5209 9.5711 10.4878 10.5125 10.6098 10.6267 11.0685 11.0703 k =-0.3676 0.2268-0.0000 ( 5011 PWs) bands (ev): -13.3055 -13.3046 -13.0217 -13.0206 -12.2295 -12.2272 -10.1397 -10.1373 -10.0126 -10.0067 -9.7755 -9.7649 -5.1883 -5.1877 -2.9730 -2.9624 -2.9158 -2.9023 -1.5831 -1.5602 -1.3806 -1.3672 -0.4610 -0.4576 -0.3394 -0.3071 -0.0482 -0.0434 1.4082 1.4439 1.4814 1.5259 2.1800 2.1826 2.3491 2.3502 2.6804 2.6884 3.1639 3.1657 3.3084 3.3087 3.5231 3.5241 3.9674 3.9692 4.0617 4.0644 8.6683 8.6700 9.5545 9.6041 10.4466 10.4763 10.6553 10.6689 11.0472 11.0487 k =-0.3824 0.2359-0.0000 ( 5003 PWs) bands (ev): -13.2786 -13.2777 -13.0232 -13.0221 -12.2678 -12.2657 -10.1385 -10.1364 -10.0056 -9.9999 -9.7777 -9.7677 -5.1997 -5.1991 -2.9422 -2.9325 -2.8622 -2.8491 -1.5777 -1.5552 -1.3869 -1.3747 -0.5002 -0.4970 -0.3789 -0.3490 -0.0119 -0.0076 1.3856 1.4035 1.4836 1.5099 2.1808 2.1829 2.3841 2.3847 2.6483 2.6557 3.1419 3.1436 3.3088 3.3091 3.5139 3.5149 3.9707 3.9724 4.0829 4.0854 8.7191 8.7208 9.5908 9.6398 10.3996 10.4318 10.7032 10.7159 11.0283 11.0295 k =-0.3971 0.2450-0.0000 ( 5004 PWs) bands (ev): -13.2525 -13.2517 -13.0244 -13.0235 -12.3041 -12.3021 -10.1374 -10.1356 -9.9989 -9.9935 -9.7800 -9.7707 -5.2097 -5.2092 -2.9141 -2.9053 -2.8124 -2.8000 -1.5708 -1.5489 -1.3920 -1.3812 -0.5389 -0.5360 -0.4149 -0.3876 0.0221 0.0260 1.3517 1.3580 1.4946 1.5088 2.1802 2.1819 2.4196 2.4199 2.6188 2.6254 3.1193 3.1209 3.3091 3.3094 3.5056 3.5065 3.9737 3.9752 4.1021 4.1044 8.7654 8.7671 9.6296 9.6779 10.3494 10.3834 10.7506 10.7629 11.0118 11.0127 k =-0.4118 0.2540-0.0000 ( 5000 PWs) bands (ev): -13.2278 -13.2270 -13.0255 -13.0247 -12.3377 -12.3360 -10.1365 -10.1350 -9.9927 -9.9876 -9.7822 -9.7738 -5.2185 -5.2179 -2.8889 -2.8812 -2.7673 -2.7559 -1.5624 -1.5417 -1.3958 -1.3867 -0.5762 -0.5737 -0.4468 -0.4226 0.0532 0.0567 1.3157 1.3167 1.5054 1.5137 2.1790 2.1804 2.4542 2.4543 2.5922 2.5980 3.0964 3.0979 3.3095 3.3097 3.4982 3.4989 3.9763 3.9776 4.1192 4.1213 8.8068 8.8082 9.6710 9.7185 10.2973 10.3327 10.7962 10.8083 10.9974 10.9981 k =-0.4265 0.2631-0.0000 ( 4988 PWs) bands (ev): -13.2050 -13.2043 -13.0265 -13.0258 -12.3681 -12.3666 -10.1358 -10.1344 -9.9870 -9.9824 -9.7842 -9.7768 -5.2258 -5.2254 -2.8670 -2.8604 -2.7276 -2.7174 -1.5530 -1.5340 -1.3985 -1.3912 -0.6111 -0.6091 -0.4743 -0.4534 0.0808 0.0840 1.2808 1.2822 1.5151 1.5202 2.1776 2.1787 2.4868 2.4868 2.5689 2.5740 3.0740 3.0753 3.3098 3.3100 3.4917 3.4923 3.9785 3.9796 4.1340 4.1357 8.8426 8.8440 9.7146 9.7612 10.2440 10.2805 10.8390 10.8506 10.9852 10.9858 k =-0.4412 0.2722-0.0000 ( 4992 PWs) bands (ev): -13.1848 -13.1841 -13.0272 -13.0267 -12.3946 -12.3933 -10.1351 -10.1341 -9.9819 -9.9780 -9.7858 -9.7797 -5.2318 -5.2315 -2.8486 -2.8432 -2.6938 -2.6852 -1.5431 -1.5265 -1.4002 -1.3946 -0.6424 -0.6409 -0.4970 -0.4797 0.1045 0.1072 1.2508 1.2531 1.5234 1.5265 2.1763 2.1771 2.5160 2.5160 2.5498 2.5540 3.0530 3.0541 3.3100 3.3102 3.4863 3.4868 3.9803 3.9812 4.1463 4.1477 8.8727 8.8739 9.7602 9.8057 10.1900 10.2276 10.8778 10.8885 10.9752 10.9757 k =-0.4559 0.2813-0.0000 ( 4990 PWs) bands (ev): -13.1679 -13.1673 -13.0278 -13.0274 -12.4163 -12.4153 -10.1346 -10.1338 -9.9777 -9.9746 -9.7871 -9.7823 -5.2365 -5.2362 -2.8338 -2.8297 -2.6666 -2.6598 -1.5336 -1.5201 -1.4010 -1.3971 -0.6688 -0.6677 -0.5145 -0.5012 0.1237 0.1259 1.2273 1.2296 1.5300 1.5319 2.1751 2.1757 2.5309 2.5326 2.5448 2.5463 3.0344 3.0353 3.3102 3.3103 3.4820 3.4824 3.9818 3.9825 4.1560 4.1571 8.8966 8.8975 9.8075 9.8517 10.1363 10.1745 10.9110 10.9204 10.9672 10.9678 k =-0.4706 0.2903-0.0000 ( 4992 PWs) bands (ev): -13.1550 -13.1547 -13.0282 -13.0279 -12.4325 -12.4318 -10.1342 -10.1337 -9.9744 -9.9722 -9.7878 -9.7845 -5.2398 -5.2396 -2.8229 -2.8202 -2.6465 -2.6418 -1.5251 -1.5156 -1.4011 -1.3987 -0.6889 -0.6882 -0.5265 -0.5175 0.1380 0.1394 1.2104 1.2122 1.5348 1.5360 2.1743 2.1747 2.5214 2.5232 2.5629 2.5633 3.0196 3.0202 3.3103 3.3104 3.4790 3.4793 3.9829 3.9833 4.1631 4.1638 8.9139 8.9145 9.8559 9.8977 10.0843 10.1221 10.9371 10.9446 10.9615 10.9624 k =-0.4853 0.2994-0.0000 ( 4988 PWs) bands (ev): -13.1470 -13.1468 -13.0284 -13.0283 -12.4424 -12.4421 -10.1339 -10.1336 -9.9721 -9.9710 -9.7879 -9.7862 -5.2418 -5.2417 -2.8160 -2.8147 -2.6337 -2.6314 -1.5186 -1.5137 -1.4009 -1.3997 -0.7015 -0.7011 -0.5329 -0.5283 0.1468 0.1476 1.2004 1.2014 1.5379 1.5384 2.1738 2.1740 2.5150 2.5159 2.5754 2.5756 3.0100 3.0104 3.3105 3.3105 3.4772 3.4773 3.9836 3.9838 4.1674 4.1678 8.9245 8.9248 9.9038 9.9382 10.0397 10.0722 10.9532 10.9579 10.9593 10.9604 k =-0.5000 0.3085-0.0000 ( 4992 PWs) bands (ev): -13.1442 -13.1442 -13.0285 -13.0285 -12.4457 -12.4457 -10.1337 -10.1337 -9.9710 -9.9710 -9.7873 -9.7873 -5.2424 -5.2424 -2.8133 -2.8133 -2.6287 -2.6287 -1.5147 -1.5147 -1.4004 -1.4004 -0.7057 -0.7057 -0.5335 -0.5335 0.1501 0.1501 1.1974 1.1974 1.5391 1.5391 2.1737 2.1737 2.5131 2.5131 2.5798 2.5798 3.0068 3.0068 3.3105 3.3105 3.4766 3.4766 3.9839 3.9839 4.1690 4.1690 8.9281 8.9281 9.9430 9.9430 10.0329 10.0329 10.9563 10.9563 10.9635 10.9635 k =-0.5000 0.3085-0.0000 ( 4992 PWs) bands (ev): -13.1442 -13.1442 -13.0285 -13.0285 -12.4457 -12.4457 -10.1337 -10.1337 -9.9710 -9.9710 -9.7873 -9.7873 -5.2424 -5.2424 -2.8133 -2.8133 -2.6287 -2.6287 -1.5147 -1.5147 -1.4004 -1.4004 -0.7057 -0.7057 -0.5335 -0.5335 0.1501 0.1501 1.1974 1.1974 1.5391 1.5391 2.1737 2.1737 2.5131 2.5131 2.5798 2.5798 3.0068 3.0068 3.3105 3.3105 3.4766 3.4766 3.9839 3.9839 4.1690 4.1690 8.9281 8.9281 9.9430 9.9430 10.0329 10.0329 10.9563 10.9563 10.9635 10.9635 k =-0.4909 0.3232-0.0000 ( 4988 PWs) bands (ev): -13.1446 -13.1445 -13.0285 -13.0284 -12.4448 -12.4446 -10.1478 -10.1380 -9.9685 -9.9573 -9.7874 -9.7863 -5.2420 -5.2417 -2.8340 -2.8316 -2.6091 -2.6050 -1.5529 -1.5003 -1.4128 -1.3604 -0.7077 -0.7066 -0.5410 -0.5374 0.1545 0.1553 1.1982 1.1986 1.5362 1.5374 2.1740 2.1742 2.5112 2.5118 2.5775 2.5791 3.0076 3.0098 3.3092 3.3095 3.4781 3.4788 3.9812 3.9812 4.1687 4.1695 8.9307 8.9308 9.9424 9.9428 10.0335 10.0355 10.9551 10.9558 10.9616 10.9645 k =-0.4818 0.3380-0.0000 ( 4988 PWs) bands (ev): -13.1457 -13.1456 -13.0285 -13.0284 -12.4419 -12.4416 -10.1742 -10.1588 -9.9517 -9.9335 -9.7865 -9.7844 -5.2404 -5.2399 -2.8776 -2.8747 -2.5606 -2.5542 -1.5945 -1.5255 -1.3817 -1.3130 -0.7126 -0.7104 -0.5595 -0.5524 0.1683 0.1697 1.2010 1.2020 1.5290 1.5313 2.1751 2.1754 2.5062 2.5074 2.5721 2.5754 3.0122 3.0165 3.3056 3.3063 3.4833 3.4847 3.9733 3.9734 4.1684 4.1699 8.9384 8.9385 9.9409 9.9416 10.0375 10.0413 10.9520 10.9536 10.9591 10.9646 k =-0.4727 0.3528-0.0000 ( 4990 PWs) bands (ev): -13.1476 -13.1474 -13.0286 -13.0284 -12.4372 -12.4367 -10.2073 -10.1894 -9.9272 -9.9052 -9.7847 -9.7815 -5.2376 -5.2369 -2.9287 -2.9260 -2.4998 -2.4919 -1.6351 -1.5623 -1.3352 -1.2627 -0.7205 -0.7172 -0.5875 -0.5771 0.1900 0.1918 1.2059 1.2073 1.5173 1.5208 2.1770 2.1775 2.4984 2.5000 2.5636 2.5685 3.0203 3.0265 3.3003 3.3013 3.4917 3.4938 3.9609 3.9611 4.1677 4.1698 8.9512 8.9515 9.9386 9.9392 10.0451 10.0502 10.9472 10.9496 10.9560 10.9639 k =-0.4636 0.3675-0.0000 ( 4986 PWs) bands (ev): -13.1502 -13.1500 -13.0286 -13.0284 -12.4304 -12.4298 -10.2441 -10.2252 -9.8997 -9.8755 -9.7820 -9.7778 -5.2338 -5.2327 -2.9816 -2.9794 -2.4332 -2.4239 -1.6733 -1.5995 -1.2843 -1.2105 -0.7315 -0.7270 -0.6230 -0.6097 0.2179 0.2198 1.2127 1.2147 1.5014 1.5060 2.1795 2.1803 2.4884 2.4903 2.5520 2.5586 3.0313 3.0394 3.2935 3.2949 3.5029 3.5058 3.9446 3.9451 4.1660 4.1686 8.9692 8.9694 9.9351 9.9354 10.0564 10.0625 10.9405 10.9440 10.9525 10.9625 k =-0.4545 0.3823-0.0000 ( 4982 PWs) bands (ev): -13.1536 -13.1533 -13.0286 -13.0283 -12.4217 -12.4209 -10.2829 -10.2639 -9.8714 -9.8458 -9.7783 -9.7731 -5.2288 -5.2275 -3.0345 -3.0329 -2.3631 -2.3522 -1.7081 -1.6343 -1.2314 -1.1572 -0.7457 -0.7399 -0.6641 -0.6483 0.2503 0.2519 1.2215 1.2241 1.4813 1.4868 2.1828 2.1838 2.4766 2.4786 2.5374 2.5456 3.0448 3.0545 3.2858 3.2875 3.5167 3.5202 3.9253 3.9261 4.1629 4.1659 8.9921 8.9923 9.9300 9.9304 10.0716 10.0782 10.9322 10.9366 10.9486 10.9605 k =-0.4454 0.3971-0.0000 ( 4986 PWs) bands (ev): -13.1578 -13.1574 -13.0286 -13.0283 -12.4111 -12.4101 -10.3231 -10.3043 -9.8437 -9.8169 -9.7737 -9.7674 -5.2227 -5.2212 -3.0868 -3.0858 -2.2907 -2.2780 -1.7388 -1.6657 -1.1774 -1.1030 -0.7640 -0.7563 -0.7086 -0.6910 0.2854 0.2867 1.2321 1.2355 1.4573 1.4636 2.1866 2.1879 2.4638 2.4656 2.5197 2.5294 3.0602 3.0714 3.2774 3.2795 3.5325 3.5367 3.9037 3.9049 4.1581 4.1613 9.0198 9.0201 9.9228 9.9241 10.0907 10.0976 10.9224 10.9276 10.9446 10.9581 k =-0.4362 0.4118-0.0000 ( 4990 PWs) bands (ev): -13.1627 -13.1623 -13.0284 -13.0281 -12.3985 -12.3974 -10.3641 -10.3457 -9.8169 -9.7894 -9.7681 -9.7608 -5.2155 -5.2138 -3.1383 -3.1379 -2.2174 -2.2022 -1.7641 -1.6926 -1.1229 -1.0481 -0.7891 -0.7775 -0.7525 -0.7350 0.3219 0.3229 1.2445 1.2488 1.4297 1.4364 2.1909 2.1926 2.4503 2.4517 2.4989 2.5101 3.0768 3.0894 3.2687 3.2711 3.5502 3.5550 3.8806 3.8821 4.1512 4.1546 9.0523 9.0526 9.9137 9.9160 10.1137 10.1207 10.9112 10.9170 10.9405 10.9554 k =-0.4271 0.4266-0.0000 ( 4994 PWs) bands (ev): -13.1685 -13.1680 -13.0283 -13.0279 -12.3841 -12.3827 -10.4057 -10.3877 -9.7918 -9.7643 -9.7615 -9.7525 -5.2073 -5.2053 -3.1892 -3.1888 -2.1449 -2.1260 -1.7824 -1.7137 -1.0683 -0.9930 -0.8275 -0.8077 -0.7883 -0.7749 0.3589 0.3594 1.2580 1.2638 1.3991 1.4057 2.1955 2.1977 2.4368 2.4374 2.4752 2.4876 3.0943 3.1082 3.2598 3.2626 3.5695 3.5749 3.8565 3.8584 4.1421 4.1456 9.0894 9.0896 9.9025 9.9057 10.1408 10.1476 10.8987 10.9050 10.9365 10.9525 k =-0.4180 0.4413-0.0000 ( 5004 PWs) bands (ev): -13.1750 -13.1746 -13.0280 -13.0276 -12.3677 -12.3662 -10.4476 -10.4301 -9.7693 -9.7531 -9.7481 -9.7360 -5.1980 -5.1958 -3.2396 -3.2386 -2.0765 -2.0515 -1.7900 -1.7269 -1.0150 -0.9382 -0.8762 -0.8493 -0.8177 -0.8063 0.3953 0.3954 1.2715 1.2801 1.3671 1.3722 2.2004 2.2030 2.4227 2.4236 2.4490 2.4620 3.1122 3.1272 3.2509 3.2541 3.5903 3.5963 3.8320 3.8343 4.1309 4.1344 9.1309 9.1311 9.8889 9.8931 10.1720 10.1786 10.8850 10.8916 10.9327 10.9496 k =-0.4089 0.4561-0.0000 ( 5006 PWs) bands (ev): -13.1824 -13.1819 -13.0276 -13.0272 -12.3494 -12.3477 -10.4895 -10.4726 -9.7527 -9.7396 -9.7384 -9.7141 -5.1878 -5.1854 -3.2894 -3.2877 -2.0185 -1.9829 -1.7808 -1.7277 -0.9695 -0.9328 -0.8899 -0.8795 -0.8467 -0.8346 0.4301 0.4304 1.2784 1.2943 1.3395 1.3405 2.2052 2.2085 2.4058 2.4113 2.4226 2.4333 3.1299 3.1460 3.2423 3.2459 3.6124 3.6189 3.8075 3.8101 4.1177 4.1211 9.1766 9.1767 9.8728 9.8777 10.2072 10.2136 10.8702 10.8769 10.9293 10.9467 k =-0.3998 0.4709-0.0000 ( 4994 PWs) bands (ev): -13.1905 -13.1901 -13.0271 -13.0267 -12.3293 -12.3274 -10.5314 -10.5151 -9.7420 -9.7288 -9.7213 -9.6934 -5.1766 -5.1740 -3.3385 -3.3362 -1.9785 -1.9280 -1.7472 -1.7085 -0.9868 -0.9735 -0.8888 -0.8780 -0.8583 -0.8243 0.4629 0.4635 1.2615 1.2817 1.3327 1.3371 2.2098 2.2139 2.3790 2.3983 2.4035 2.4042 3.1469 3.1642 3.2342 3.2383 3.6357 3.6426 3.7833 3.7863 4.1025 4.1058 9.2262 9.2263 9.8539 9.8594 10.2464 10.2526 10.8545 10.8609 10.9262 10.9436 k =-0.3907 0.4856-0.0000 ( 4994 PWs) bands (ev): -13.1995 -13.1990 -13.0265 -13.0261 -12.3072 -12.3052 -10.5731 -10.5573 -9.7324 -9.7188 -9.7032 -9.6743 -5.1644 -5.1617 -3.3872 -3.3843 -1.9565 -1.8932 -1.6890 -1.6628 -1.0424 -1.0193 -0.9114 -0.9030 -0.8279 -0.7685 0.4930 0.4936 1.2251 1.2429 1.3516 1.3529 2.2139 2.2189 2.3443 2.3658 2.3919 2.3924 3.1624 3.1806 3.2276 3.2321 3.6599 3.6673 3.7599 3.7631 4.0857 4.0887 9.2796 9.2798 9.8319 9.8380 10.2896 10.2957 10.8379 10.8438 10.9234 10.9387 k =-0.3816 0.5004-0.0000 ( 4996 PWs) bands (ev): -13.2092 -13.2087 -13.0258 -13.0254 -12.2833 -12.2811 -10.6144 -10.5992 -9.7226 -9.7082 -9.6865 -9.6572 -5.1514 -5.1486 -3.4356 -3.4320 -1.9446 -1.8745 -1.6143 -1.5946 -1.0980 -1.0709 -0.9474 -0.9367 -0.7748 -0.7126 0.5197 0.5200 1.1828 1.1993 1.3751 1.3756 2.2174 2.2234 2.3056 2.3280 2.3836 2.3848 3.1750 3.1923 3.2253 3.2285 3.6849 3.6926 3.7375 3.7409 4.0674 4.0702 9.3365 9.3369 9.8068 9.8132 10.3366 10.3428 10.8204 10.8254 10.9201 10.9253 k =-0.3725 0.5152-0.0000 ( 5010 PWs) bands (ev): -13.2197 -13.2193 -13.0249 -13.0246 -12.2576 -12.2552 -10.6552 -10.6406 -9.7124 -9.6971 -9.6716 -9.6420 -5.1376 -5.1346 -3.4837 -3.4795 -1.9356 -1.8627 -1.5306 -1.5132 -1.1532 -1.1235 -0.9861 -0.9741 -0.7192 -0.6565 0.5416 0.5420 1.1388 1.1542 1.4005 1.4021 2.2199 2.2269 2.2639 2.2873 2.3775 2.3801 3.1820 3.1946 3.2302 3.2319 3.7097 3.7171 3.7175 3.7208 4.0478 4.0504 9.3967 9.3973 9.7783 9.7849 10.3872 10.3938 10.8020 10.8057 10.8945 10.9121 k =-0.3634 0.5299-0.0000 ( 5018 PWs) bands (ev): -13.2310 -13.2305 -13.0240 -13.0237 -12.2301 -12.2274 -10.6955 -10.6815 -9.7018 -9.6856 -9.6585 -9.6287 -5.1230 -5.1199 -3.5315 -3.5267 -1.9259 -1.8522 -1.4420 -1.4247 -1.2072 -1.1759 -1.0273 -1.0145 -0.6629 -0.6005 0.5571 0.5587 1.0954 1.1095 1.4282 1.4306 2.2194 2.2215 2.2296 2.2439 2.3741 2.3780 3.1825 3.1903 3.2379 3.2447 3.6959 3.6996 3.7370 3.7450 4.0274 4.0297 9.4601 9.4609 9.7463 9.7529 10.4413 10.4485 10.7827 10.7843 10.8558 10.8858 k =-0.3543 0.5447-0.0000 ( 5020 PWs) bands (ev): -13.2429 -13.2425 -13.0230 -13.0227 -12.2007 -12.1979 -10.7351 -10.7216 -9.6909 -9.6738 -9.6472 -9.6174 -5.1077 -5.1045 -3.5792 -3.5738 -1.9139 -1.8401 -1.3529 -1.3320 -1.2574 -1.2274 -1.0711 -1.0575 -0.6060 -0.5444 0.5649 0.5683 1.0544 1.0668 1.4578 1.4609 2.1725 2.1979 2.2224 2.2311 2.3733 2.3783 3.1789 3.1841 3.2493 3.2590 3.6773 3.6810 3.7632 3.7714 4.0063 4.0083 9.5262 9.5274 9.7108 9.7173 10.4982 10.5067 10.7605 10.7624 10.8162 10.8452 k =-0.3452 0.5595-0.0000 ( 5022 PWs) bands (ev): -13.2556 -13.2551 -13.0218 -13.0215 -12.1696 -12.1665 -10.7739 -10.7610 -9.6798 -9.6617 -9.6377 -9.6079 -5.0918 -5.0885 -3.6268 -3.6207 -1.8987 -1.8254 -1.3245 -1.2794 -1.2438 -1.2354 -1.1169 -1.1031 -0.5488 -0.4881 0.5630 0.5692 1.0181 1.0280 1.4891 1.4927 2.1232 2.1496 2.2226 2.2319 2.3751 2.3809 3.1737 3.1775 3.2619 3.2732 3.6601 3.6637 3.7895 3.7977 3.9848 3.9865 9.5950 9.5965 9.6718 9.6780 10.5571 10.5678 10.7329 10.7407 10.7790 10.8016 k =-0.3452 0.5595-0.0000 ( 5022 PWs) bands (ev): -13.2556 -13.2551 -13.0218 -13.0215 -12.1696 -12.1665 -10.7739 -10.7610 -9.6798 -9.6617 -9.6377 -9.6079 -5.0918 -5.0885 -3.6268 -3.6207 -1.8987 -1.8254 -1.3245 -1.2794 -1.2438 -1.2354 -1.1169 -1.1031 -0.5488 -0.4881 0.5630 0.5692 1.0181 1.0280 1.4891 1.4927 2.1232 2.1496 2.2226 2.2319 2.3751 2.3809 3.1737 3.1775 3.2619 3.2732 3.6601 3.6637 3.7895 3.7977 3.9848 3.9865 9.5950 9.5965 9.6718 9.6780 10.5571 10.5678 10.7329 10.7407 10.7790 10.8016 k =-0.3452 0.5595 0.0173 ( 5026 PWs) bands (ev): -13.2553 -13.2549 -13.0219 -13.0216 -12.1686 -12.1655 -10.7734 -10.7605 -9.6827 -9.6647 -9.6387 -9.6089 -5.0879 -5.0847 -3.6277 -3.6217 -1.8944 -1.8211 -1.3244 -1.2789 -1.2529 -1.2462 -1.1189 -1.1049 -0.5383 -0.4789 0.5636 0.5698 1.0170 1.0270 1.4896 1.4933 2.1225 2.1487 2.2164 2.2250 2.3815 2.3867 3.1724 3.1763 3.2635 3.2747 3.6598 3.6633 3.7897 3.7979 3.9841 3.9859 9.5916 9.5929 9.6694 9.6757 10.5583 10.5687 10.6664 10.6800 10.8455 10.8605 k =-0.3452 0.5595 0.0346 ( 5024 PWs) bands (ev): -13.2546 -13.2542 -13.0221 -13.0218 -12.1654 -12.1623 -10.7719 -10.7591 -9.6913 -9.6735 -9.6418 -9.6122 -5.0765 -5.0735 -3.6306 -3.6246 -1.8815 -1.8085 -1.3265 -1.2856 -1.2762 -1.2685 -1.1247 -1.1102 -0.5089 -0.4527 0.5654 0.5715 1.0140 1.0242 1.4911 1.4948 2.1204 2.1458 2.2000 2.2072 2.3980 2.4018 3.1691 3.1731 3.2679 3.2788 3.6587 3.6622 3.7903 3.7984 3.9822 3.9839 9.5816 9.5824 9.6622 9.6688 10.5530 10.5652 10.5920 10.6032 10.9282 10.9330 k =-0.3452 0.5595 0.0519 ( 5018 PWs) bands (ev): -13.2535 -13.2530 -13.0225 -13.0222 -12.1602 -12.1571 -10.7695 -10.7568 -9.7057 -9.6881 -9.6469 -9.6175 -5.0577 -5.0550 -3.6352 -3.6293 -1.8605 -1.7880 -1.3465 -1.3291 -1.2950 -1.2686 -1.1338 -1.1185 -0.4650 -0.4131 0.5684 0.5743 1.0089 1.0194 1.4936 1.4973 2.1167 2.1409 2.1772 2.1831 2.4200 2.4225 3.1641 3.1684 3.2745 3.2850 3.6568 3.6603 3.7913 3.7993 3.9790 3.9807 9.5663 9.5663 9.6501 9.6572 10.4864 10.5031 10.5824 10.5864 10.9841 11.0029 k =-0.3452 0.5595 0.0692 ( 5018 PWs) bands (ev): -13.2519 -13.2514 -13.0229 -13.0227 -12.1528 -12.1498 -10.7661 -10.7534 -9.7255 -9.7083 -9.6541 -9.6249 -5.0316 -5.0293 -3.6411 -3.6354 -1.8318 -1.7603 -1.3942 -1.3871 -1.2960 -1.2648 -1.1453 -1.1284 -0.4116 -0.3641 0.5727 0.5783 1.0019 1.0128 1.4970 1.5007 2.1113 2.1339 2.1509 2.1559 2.4446 2.4460 3.1581 3.1625 3.2828 3.2929 3.6543 3.6577 3.7926 3.8004 3.9745 3.9761 9.5461 9.5472 9.6328 9.6406 10.4048 10.4211 10.5921 10.5925 11.0326 11.0551 k =-0.3452 0.5595 0.0865 ( 5010 PWs) bands (ev): -13.2498 -13.2494 -13.0236 -13.0233 -12.1434 -12.1404 -10.7617 -10.7492 -9.7506 -9.7338 -9.6631 -9.6344 -4.9984 -4.9967 -3.6482 -3.6426 -1.7968 -1.7271 -1.4540 -1.4510 -1.2925 -1.2631 -1.1573 -1.1373 -0.3525 -0.3093 0.5782 0.5834 0.9930 1.0044 1.5012 1.5049 2.1037 2.1205 2.1271 2.1277 2.4703 2.4710 3.1516 3.1561 3.2921 3.3018 3.6510 3.6543 3.7940 3.8017 3.9687 3.9703 9.5238 9.5262 9.6099 9.6187 10.3256 10.3411 10.6009 10.6042 11.0893 11.1085 k =-0.3452 0.5595 0.1038 ( 5012 PWs) bands (ev): -13.2473 -13.2469 -13.0244 -13.0241 -12.1319 -12.1289 -10.7563 -10.7440 -9.7807 -9.7644 -9.6741 -9.6459 -4.9586 -4.9576 -3.6559 -3.6506 -1.7581 -1.6938 -1.5171 -1.5131 -1.2918 -1.2676 -1.1664 -1.1412 -0.2905 -0.2512 0.5848 0.5897 0.9824 0.9943 1.5062 1.5098 2.0896 2.0924 2.1032 2.1148 2.4965 2.4966 3.1449 3.1495 3.3022 3.3114 3.6469 3.6502 3.7955 3.8030 3.9616 3.9631 9.5009 9.5049 9.5812 9.5911 10.2514 10.2654 10.6101 10.6168 11.1542 11.1700 k =-0.3452 0.5595 0.1211 ( 5011 PWs) bands (ev): -13.2444 -13.2439 -13.0253 -13.0251 -12.1182 -12.1154 -10.7500 -10.7378 -9.8155 -9.7997 -9.6869 -9.6594 -4.9125 -4.9122 -3.6639 -3.6588 -1.7255 -1.6823 -1.5718 -1.5501 -1.2995 -1.2821 -1.1677 -1.1364 -0.2274 -0.1918 0.5927 0.5970 0.9700 0.9825 1.5116 1.5152 2.0628 2.0634 2.0888 2.1013 2.5224 2.5229 3.1382 3.1428 3.3127 3.3215 3.6422 3.6453 3.7969 3.8041 3.9532 3.9546 9.4792 9.4848 9.5464 9.5576 10.1834 10.1957 10.6198 10.6295 11.2260 11.2383 k =-0.3452 0.5595 0.1384 ( 5009 PWs) bands (ev): -13.2411 -13.2406 -13.0264 -13.0262 -12.1026 -12.0998 -10.7426 -10.7307 -9.8547 -9.8394 -9.7015 -9.6747 -4.8609 -4.8604 -3.6717 -3.6670 -1.7329 -1.7247 -1.5833 -1.5293 -1.3186 -1.3069 -1.1584 -1.1226 -0.1647 -0.1325 0.6017 0.6056 0.9561 0.9691 1.5174 1.5208 2.0334 2.0342 2.0754 2.0854 2.5483 2.5492 3.1317 3.1363 3.3234 3.3318 3.6368 3.6397 3.7979 3.8049 3.9435 3.9448 9.4600 9.4673 9.5056 9.5180 10.1226 10.1328 10.6299 10.6421 11.3030 11.3100 k =-0.3452 0.5595 0.1557 ( 5012 PWs) bands (ev): -13.2374 -13.2369 -13.0276 -13.0274 -12.0848 -12.0821 -10.7343 -10.7226 -9.8978 -9.8831 -9.7178 -9.6918 -4.8042 -4.8028 -3.6790 -3.6747 -1.7944 -1.7890 -1.5425 -1.4769 -1.3474 -1.3399 -1.1399 -1.1015 -0.1034 -0.0743 0.6118 0.6151 0.9406 0.9542 1.5232 1.5265 2.0046 2.0053 2.0603 2.0672 2.5741 2.5754 3.1255 3.1300 3.3342 3.3421 3.6308 3.6335 3.7985 3.8052 3.9326 3.9338 9.4442 9.4516 9.4613 9.4730 10.0694 10.0774 10.6403 10.6546 11.3672 11.3824 k =-0.3452 0.5595 0.1730 ( 5005 PWs) bands (ev): -13.2333 -13.2328 -13.0290 -13.0289 -12.0650 -12.0624 -10.7250 -10.7135 -9.9444 -9.9304 -9.7358 -9.7106 -4.7425 -4.7402 -3.6852 -3.6815 -1.8714 -1.8613 -1.4829 -1.4130 -1.3824 -1.3793 -1.1145 -1.0749 -0.0441 -0.0180 0.6230 0.6258 0.9239 0.9379 1.5287 1.5317 1.9769 1.9774 2.0430 2.0463 2.5999 2.6015 3.1197 3.1240 3.3448 3.3523 3.6242 3.6267 3.7985 3.8049 3.9204 3.9215 9.4072 9.4219 9.4342 9.4456 10.0236 10.0295 10.6509 10.6670 11.3888 11.4057 k =-0.3452 0.5595 0.1903 ( 5005 PWs) bands (ev): -13.2289 -13.2284 -13.0306 -13.0305 -12.0432 -12.0406 -10.7147 -10.7035 -9.9943 -9.9810 -9.7553 -9.7310 -4.6762 -4.6729 -3.6902 -3.6871 -1.9508 -1.9382 -1.4410 -1.4244 -1.3970 -1.3421 -1.0840 -1.0437 0.0126 0.0358 0.6352 0.6373 0.9059 0.9202 1.5334 1.5361 1.9505 1.9510 2.0229 2.0232 2.6256 2.6274 3.1143 3.1185 3.3553 3.3623 3.6172 3.6193 3.7976 3.8037 3.9071 3.9080 9.3535 9.3691 9.4278 9.4416 9.9847 9.9886 10.6616 10.6792 11.3836 11.3898 k =-0.3452 0.5595 0.2076 ( 5007 PWs) bands (ev): -13.2241 -13.2236 -13.0324 -13.0323 -12.0193 -12.0169 -10.7033 -10.6924 -10.0471 -10.0344 -9.7762 -9.7529 -4.6057 -4.6014 -3.6936 -3.6911 -2.0309 -2.0167 -1.4796 -1.4737 -1.3305 -1.2666 -1.0491 -1.0087 0.0662 0.0866 0.6480 0.6497 0.8869 0.9014 1.5369 1.5392 1.9259 1.9265 1.9969 2.0008 2.6512 2.6532 3.1094 3.1135 3.3654 3.3720 3.6097 3.6115 3.7957 3.8014 3.8927 3.8934 9.2981 9.3138 9.4276 9.4435 9.9515 9.9536 10.6723 10.6911 11.3531 11.3568 k =-0.3452 0.5595 0.2249 ( 5005 PWs) bands (ev): -13.2191 -13.2185 -13.0343 -13.0343 -11.9934 -11.9911 -10.6910 -10.6805 -10.1023 -10.0903 -9.7985 -9.7762 -4.5315 -4.5262 -3.6952 -3.6934 -2.1110 -2.0956 -1.5303 -1.5273 -1.2520 -1.1873 -1.0104 -0.9702 0.1164 0.1341 0.6612 0.6625 0.8673 0.8816 1.5388 1.5406 1.9033 1.9043 1.9685 1.9758 2.6768 2.6789 3.1050 3.1089 3.3752 3.3813 3.6021 3.6035 3.7926 3.7979 3.8773 3.8778 9.2430 9.2584 9.4335 9.4515 9.9231 9.9236 10.6829 10.7028 11.3050 11.3154 k =-0.3452 0.5595 0.2422 ( 5007 PWs) bands (ev): -13.2137 -13.2132 -13.0365 -13.0364 -11.9655 -11.9634 -10.6776 -10.6675 -10.1597 -10.1483 -9.8220 -9.8008 -4.4539 -4.4475 -3.6947 -3.6937 -2.1906 -2.1744 -1.5856 -1.5845 -1.1695 -1.1050 -0.9682 -0.9284 0.1628 0.1779 0.6741 0.6754 0.8478 0.8613 1.5386 1.5399 1.8825 1.8844 1.9380 1.9481 2.7023 2.7045 3.1012 3.1050 3.3845 3.3901 3.5943 3.5952 3.7882 3.7931 3.8609 3.8612 9.1897 9.2043 9.4458 9.4657 9.8974 9.8984 10.6930 10.7139 11.2504 11.2646 k =-0.3452 0.5595 0.2595 ( 5005 PWs) bands (ev): -13.2081 -13.2076 -13.0388 -13.0388 -11.9356 -11.9336 -10.6633 -10.6535 -10.2188 -10.2081 -9.8466 -9.8265 -4.3733 -4.3660 -3.6919 -3.6918 -2.2695 -2.2525 -1.6452 -1.6446 -1.0845 -1.0202 -0.9227 -0.8836 0.2053 0.2179 0.6851 0.6871 0.8298 0.8416 1.5363 1.5370 1.8626 1.8670 1.9063 1.9179 2.7278 2.7301 3.0980 3.1017 3.3934 3.3985 3.5865 3.5870 3.7824 3.7868 3.8438 3.8439 9.1396 9.1531 9.4644 9.4863 9.8740 9.8764 10.7023 10.7241 11.1918 11.2080 k =-0.3452 0.5595 0.2768 ( 5002 PWs) bands (ev): -13.2023 -13.2017 -13.0414 -13.0414 -11.9038 -11.9020 -10.6479 -10.6386 -10.2795 -10.2695 -9.8723 -9.8534 -4.2901 -4.2818 -3.6875 -3.6868 -2.3472 -2.3298 -1.7090 -1.7068 -0.9976 -0.9336 -0.8739 -0.8359 0.2437 0.2538 0.6912 0.6954 0.8162 0.8247 1.5317 1.5320 1.8406 1.8512 1.8763 1.8856 2.7532 2.7556 3.0955 3.0990 3.4017 3.4064 3.5790 3.5790 3.7750 3.7790 3.8259 3.8260 9.0938 9.1059 9.4894 9.5130 9.8522 9.8560 10.7105 10.7333 11.1309 11.1479 k =-0.3452 0.5595 0.2941 ( 5006 PWs) bands (ev): -13.1963 -13.1957 -13.0442 -13.0441 -11.8700 -11.8684 -10.6315 -10.6227 -10.3413 -10.3320 -9.8989 -9.8811 -4.2047 -4.1954 -3.6807 -3.6791 -2.4238 -2.4060 -1.7757 -1.7721 -0.9099 -0.8457 -0.8217 -0.7855 0.2779 0.2854 0.6883 0.6962 0.8113 0.8145 1.5251 1.5253 1.8110 1.8340 1.8532 1.8541 2.7786 2.7810 3.0936 3.0969 3.4095 3.4138 3.5713 3.5718 3.7661 3.7696 3.8073 3.8077 9.0534 9.0638 9.5206 9.5459 9.8309 9.8361 10.7169 10.7408 11.0696 11.0863 k =-0.3452 0.5595 0.3114 ( 5001 PWs) bands (ev): -13.1901 -13.1895 -13.0472 -13.0471 -11.8344 -11.8329 -10.6141 -10.6059 -10.4041 -10.3954 -9.9263 -9.9097 -4.1174 -4.1072 -3.6713 -3.6688 -2.4989 -2.4809 -1.8452 -1.8402 -0.8227 -0.7654 -0.7573 -0.7325 0.3076 0.3127 0.6741 0.6856 0.8148 0.8170 1.5170 1.5177 1.7738 1.8046 1.8335 1.8367 2.8038 2.8063 3.0924 3.0954 3.4168 3.4208 3.5642 3.5651 3.7557 3.7586 3.7885 3.7891 9.0191 9.0276 9.5577 9.5846 9.8092 9.8158 10.7210 10.7463 11.0094 11.0249 k =-0.3452 0.5595 0.3287 ( 5005 PWs) bands (ev): -13.1838 -13.1832 -13.0504 -13.0503 -11.7968 -11.7955 -10.5958 -10.5881 -10.4675 -10.4594 -9.9543 -9.9389 -4.0285 -4.0174 -3.6593 -3.6558 -2.5725 -2.5543 -1.9171 -1.9109 -0.7400 -0.7019 -0.6778 -0.6679 0.3326 0.3353 0.6506 0.6639 0.8252 0.8314 1.5083 1.5094 1.7323 1.7660 1.8204 1.8228 2.8288 2.8313 3.0918 3.0946 3.4237 3.4273 3.5577 3.5592 3.7438 3.7459 3.7695 3.7702 8.9915 8.9981 9.6005 9.6289 9.7857 9.7939 10.7220 10.7492 10.9523 10.9657 k =-0.3452 0.5595 0.3460 ( 5004 PWs) bands (ev): -13.1773 -13.1767 -13.0539 -13.0537 -11.7574 -11.7563 -10.5766 -10.5696 -10.5312 -10.5238 -9.9830 -9.9688 -3.9382 -3.9263 -3.6445 -3.6401 -2.6444 -2.6262 -1.9914 -1.9839 -0.6680 -0.6255 -0.6200 -0.5799 0.3529 0.3532 0.6209 0.6344 0.8423 0.8513 1.4998 1.5014 1.6884 1.7241 1.8081 1.8093 2.8535 2.8561 3.0916 3.0941 3.4303 3.4337 3.5522 3.5540 3.7305 3.7318 3.7506 3.7513 8.9712 8.9756 9.6484 9.6782 9.7595 9.7692 10.7191 10.7487 10.9003 10.9104 k =-0.3452 0.5595 0.3633 ( 5008 PWs) bands (ev): -13.1708 -13.1702 -13.0575 -13.0574 -11.7161 -11.7153 -10.5962 -10.5893 -10.5555 -10.5491 -10.0120 -9.9991 -3.8469 -3.8342 -3.6270 -3.6216 -2.7145 -2.6964 -2.0678 -2.0592 -0.6029 -0.5606 -0.5410 -0.4926 0.3661 0.3682 0.5866 0.5996 0.8635 0.8748 1.4923 1.4944 1.6428 1.6802 1.7950 1.7952 2.8777 2.8803 3.0919 3.0941 3.4367 3.4399 3.5476 3.5499 3.7160 3.7163 3.7318 3.7326 8.9584 8.9606 9.7001 9.7305 9.7316 9.7412 10.7113 10.7441 10.8552 10.8609 k =-0.3452 0.5595 0.3806 ( 5011 PWs) bands (ev): -13.1642 -13.1636 -13.0614 -13.0612 -11.6731 -11.6725 -10.6602 -10.6538 -10.5345 -10.5286 -10.0415 -10.0297 -3.7549 -3.7413 -3.6065 -3.6003 -2.7827 -2.7647 -2.1462 -2.1366 -0.5387 -0.4996 -0.4552 -0.4068 0.3737 0.3782 0.5488 0.5606 0.8876 0.9011 1.4863 1.4892 1.5964 1.6348 1.7794 1.7808 2.9013 2.9040 3.0923 3.0942 3.4431 3.4462 3.5441 3.5468 3.6996 3.7003 3.7134 3.7141 8.9534 8.9534 9.6933 9.7073 9.7594 9.7903 10.6982 10.7349 10.8183 10.8189 k =-0.3452 0.5595 0.3979 ( 5015 PWs) bands (ev): -13.1576 -13.1570 -13.0656 -13.0653 -11.6283 -11.6279 -10.7242 -10.7183 -10.5123 -10.5071 -10.0712 -10.0606 -3.6624 -3.6480 -3.5831 -3.5762 -2.8490 -2.8312 -2.2265 -2.2158 -0.4737 -0.4371 -0.3703 -0.3230 0.3757 0.3827 0.5080 0.5182 0.9139 0.9295 1.4822 1.4864 1.5499 1.5883 1.7620 1.7645 2.9240 2.9268 3.0928 3.0942 3.4498 3.4529 3.5420 3.5450 3.6820 3.6837 3.6953 3.6959 8.9539 8.9563 9.6534 9.6688 9.8199 9.8519 10.6801 10.7203 10.7856 10.7899 k =-0.3452 0.5595 0.4152 ( 5021 PWs) bands (ev): -13.1510 -13.1503 -13.0699 -13.0697 -11.5817 -11.5816 -10.7879 -10.7826 -10.4891 -10.4847 -10.1010 -10.0916 -3.5717 -3.5552 -3.5547 -3.5484 -2.9132 -2.8956 -2.3085 -2.2969 -0.4078 -0.3734 -0.2877 -0.2419 0.3718 0.3811 0.4645 0.4728 0.9421 0.9598 1.4774 1.4865 1.5067 1.5413 1.7426 1.7462 2.9458 2.9487 3.0929 3.0938 3.4569 3.4601 3.5411 3.5444 3.6639 3.6663 3.6776 3.6783 8.9623 8.9669 9.6080 9.6246 9.8837 9.9165 10.6581 10.7000 10.7616 10.7690 k =-0.3452 0.5595 0.4325 ( 5023 PWs) bands (ev): -13.1444 -13.1438 -13.0745 -13.0742 -11.5337 -11.5336 -10.8512 -10.8464 -10.4650 -10.4614 -10.1308 -10.1226 -3.5297 -3.5198 -3.4746 -3.4603 -2.9752 -2.9580 -2.3920 -2.3796 -0.3409 -0.3089 -0.2079 -0.1639 0.3611 0.3723 0.4196 0.4252 0.9721 0.9920 1.4482 1.4879 1.4913 1.4958 1.7213 1.7258 2.9665 2.9694 3.0924 3.0929 3.4648 3.4682 3.5417 3.5452 3.6454 3.6484 3.6603 3.6614 8.9784 8.9852 9.5575 9.5753 9.9499 9.9833 10.6321 10.6737 10.7471 10.7555 k =-0.3452 0.5595 0.4498 ( 5008 PWs) bands (ev): -13.1378 -13.1372 -13.0793 -13.0790 -11.4842 -11.4837 -10.9139 -10.9096 -10.4401 -10.4373 -10.1606 -10.1535 -3.4977 -3.4873 -3.3817 -3.3666 -3.0349 -3.0182 -2.4770 -2.4639 -0.2735 -0.2438 -0.1317 -0.0897 0.3410 0.3507 0.3782 0.3788 1.0037 1.0258 1.4035 1.4458 1.4955 1.4976 1.6984 1.7037 2.9859 2.9889 3.0910 3.0911 3.4737 3.4773 3.5438 3.5474 3.6268 3.6303 3.6438 3.6453 9.0020 9.0108 9.5030 9.5216 10.0178 10.0516 10.6011 10.6410 10.7422 10.7499 k =-0.3452 0.5595 0.4671 ( 5010 PWs) bands (ev): -13.1313 -13.1307 -13.0844 -13.0840 -11.4331 -11.4323 -10.9759 -10.9720 -10.4143 -10.4123 -10.1902 -10.1843 -3.4633 -3.4521 -3.2887 -3.2732 -3.0923 -3.0762 -2.5633 -2.5495 -0.2058 -0.1786 -0.0597 -0.0197 0.3033 0.3075 0.3398 0.3510 1.0369 1.0614 1.3579 1.3988 1.5049 1.5080 1.6742 1.6800 3.0038 3.0068 3.0879 3.0885 3.4839 3.4876 3.5473 3.5511 3.6083 3.6120 3.6281 3.6300 9.0325 9.0433 9.4456 9.4646 10.0866 10.1207 10.5637 10.6018 10.7464 10.7531 k =-0.3452 0.5595 0.4844 ( 5008 PWs) bands (ev): -13.1249 -13.1244 -13.0896 -13.0892 -11.3805 -11.3794 -11.0370 -11.0336 -10.3878 -10.3866 -10.2196 -10.2148 -3.4261 -3.4141 -3.1968 -3.1801 -3.1465 -3.1318 -2.6508 -2.6365 -0.1381 -0.1135 0.0074 0.0455 0.2512 0.2548 0.3077 0.3240 1.0717 1.0985 1.3130 1.3524 1.5181 1.5221 1.6492 1.6554 3.0202 3.0232 3.0833 3.0845 3.4953 3.4993 3.5523 3.5561 3.5900 3.5938 3.6134 3.6158 9.0696 9.0822 9.3866 9.4056 10.1555 10.1898 10.5197 10.5563 10.7590 10.7648 k =-0.3452 0.5595 0.5017 ( 5006 PWs) bands (ev): -13.1187 -13.1181 -13.0951 -13.0946 -11.3264 -11.3250 -11.0972 -11.0942 -10.3605 -10.3602 -10.2487 -10.2449 -3.3863 -3.3735 -3.2012 -3.1852 -3.1024 -3.0874 -2.7394 -2.7247 -0.0711 -0.0489 0.0675 0.1052 0.1953 0.1989 0.2728 0.2922 1.1081 1.1372 1.2691 1.3069 1.5346 1.5394 1.6241 1.6303 3.0351 3.0380 3.0771 3.0788 3.5081 3.5123 3.5585 3.5624 3.5724 3.5762 3.5999 3.6027 9.1126 9.1269 9.3274 9.3460 10.2236 10.2580 10.4695 10.5052 10.7789 10.7841 k =-0.3452 0.5595 0.5190 ( 5000 PWs) bands (ev): -13.1125 -13.1120 -13.1007 -13.1002 -11.2710 -11.2692 -11.1563 -11.1538 -10.3332 -10.3325 -10.2774 -10.2746 -3.3438 -3.3303 -3.2510 -3.2360 -3.0108 -2.9955 -2.8291 -2.8140 -0.0052 0.0148 0.1024 0.1346 0.1563 0.1655 0.2330 0.2547 1.1461 1.1775 1.2267 1.2625 1.5540 1.5594 1.5994 1.6055 3.0482 3.0509 3.0693 3.0714 3.5223 3.5266 3.5538 3.5583 3.5678 3.5711 3.5877 3.5908 9.1608 9.1766 9.2692 9.2872 10.2900 10.3245 10.4139 10.4490 10.8053 10.8102 k =-0.3452 0.5595 0.5363 ( 5002 PWs) bands (ev): -13.1065 -13.1065 -13.1060 -13.1060 -11.2143 -11.2143 -11.2121 -11.2121 -10.3055 -10.3055 -10.3038 -10.3038 -3.2987 -3.2987 -3.2844 -3.2844 -2.9195 -2.9195 -2.9043 -2.9043 0.0577 0.0577 0.0770 0.0770 0.1892 0.1892 0.2116 0.2116 1.1856 1.1856 1.2193 1.2193 1.5758 1.5758 1.5816 1.5816 3.0596 3.0596 3.0621 3.0621 3.5377 3.5377 3.5420 3.5420 3.5769 3.5769 3.5802 3.5802 9.2133 9.2133 9.2303 9.2303 10.3537 10.3537 10.3885 10.3885 10.8373 10.8373 k =-0.3452 0.5595 0.5363 ( 5002 PWs) bands (ev): -13.1065 -13.1065 -13.1060 -13.1060 -11.2143 -11.2143 -11.2121 -11.2121 -10.3055 -10.3055 -10.3038 -10.3038 -3.2987 -3.2987 -3.2844 -3.2844 -2.9195 -2.9195 -2.9043 -2.9043 0.0577 0.0577 0.0770 0.0770 0.1892 0.1892 0.2116 0.2116 1.1856 1.1856 1.2193 1.2193 1.5758 1.5758 1.5816 1.5816 3.0596 3.0596 3.0621 3.0621 3.5377 3.5377 3.5420 3.5420 3.5769 3.5769 3.5802 3.5802 9.2133 9.2133 9.2303 9.2303 10.3537 10.3537 10.3885 10.3885 10.8373 10.8373 k =-0.3543 0.5447 0.5363 ( 4994 PWs) bands (ev): -13.1019 -13.1019 -13.1015 -13.1015 -11.2408 -11.2408 -11.2387 -11.2387 -10.2790 -10.2790 -10.2773 -10.2773 -3.3572 -3.3572 -3.3441 -3.3441 -2.8750 -2.8750 -2.8600 -2.8600 0.0685 0.0685 0.0879 0.0879 0.1935 0.1935 0.2136 0.2136 1.1948 1.1948 1.2274 1.2274 1.5804 1.5804 1.5861 1.5861 3.0475 3.0475 3.0497 3.0497 3.5228 3.5228 3.5264 3.5264 3.5933 3.5933 3.5970 3.5970 9.1887 9.1887 9.2053 9.2053 10.3642 10.3642 10.3979 10.3979 10.8499 10.8499 k =-0.3634 0.5299 0.5363 ( 4992 PWs) bands (ev): -13.0976 -13.0976 -13.0971 -13.0971 -11.2659 -11.2659 -11.2639 -11.2639 -10.2531 -10.2531 -10.2515 -10.2515 -3.4140 -3.4140 -3.4019 -3.4019 -2.8328 -2.8328 -2.8182 -2.8182 0.0795 0.0795 0.0990 0.0990 0.1976 0.1976 0.2155 0.2155 1.2025 1.2025 1.2339 1.2339 1.5866 1.5866 1.5922 1.5922 3.0344 3.0344 3.0365 3.0365 3.5086 3.5086 3.5118 3.5118 3.6112 3.6112 3.6149 3.6149 9.1630 9.1630 9.1790 9.1790 10.3741 10.3741 10.4066 10.4066 10.8653 10.8653 k =-0.3725 0.5152 0.5363 ( 5014 PWs) bands (ev): -13.0935 -13.0935 -13.0931 -13.0931 -11.2895 -11.2895 -11.2877 -11.2877 -10.2279 -10.2279 -10.2263 -10.2263 -3.4687 -3.4687 -3.4576 -3.4576 -2.7931 -2.7931 -2.7789 -2.7789 0.0904 0.0904 0.1100 0.1100 0.2017 0.2017 0.2172 0.2172 1.2088 1.2088 1.2388 1.2388 1.5942 1.5942 1.5997 1.5997 3.0205 3.0205 3.0224 3.0224 3.4953 3.4953 3.4983 3.4983 3.6299 3.6299 3.6335 3.6335 9.1367 9.1367 9.1521 9.1521 10.3838 10.3838 10.4150 10.4150 10.8830 10.8830 k =-0.3816 0.5004 0.5363 ( 5030 PWs) bands (ev): -13.0897 -13.0897 -13.0893 -13.0893 -11.3117 -11.3117 -11.3100 -11.3100 -10.2036 -10.2036 -10.2021 -10.2021 -3.5210 -3.5210 -3.5108 -3.5108 -2.7560 -2.7560 -2.7423 -2.7423 0.1015 0.1015 0.1211 0.1211 0.2057 0.2057 0.2189 0.2189 1.2137 1.2137 1.2421 1.2421 1.6029 1.6029 1.6084 1.6084 3.0060 3.0060 3.0077 3.0077 3.4830 3.4830 3.4857 3.4857 3.6491 3.6491 3.6525 3.6525 9.1103 9.1103 9.1250 9.1250 10.3937 10.3937 10.4235 10.4235 10.9024 10.9024 k =-0.3907 0.4856 0.5363 ( 5038 PWs) bands (ev): -13.0862 -13.0862 -13.0858 -13.0858 -11.3324 -11.3324 -11.3308 -11.3308 -10.1804 -10.1804 -10.1789 -10.1789 -3.5707 -3.5707 -3.5615 -3.5615 -2.7214 -2.7214 -2.7084 -2.7084 0.1124 0.1124 0.1319 0.1319 0.2097 0.2097 0.2206 0.2206 1.2172 1.2172 1.2439 1.2439 1.6127 1.6127 1.6179 1.6179 2.9911 2.9911 2.9927 2.9927 3.4717 3.4717 3.4743 3.4743 3.6686 3.6686 3.6718 3.6718 9.0842 9.0842 9.0980 9.0980 10.4041 10.4041 10.4323 10.4323 10.9229 10.9229 k =-0.3998 0.4709 0.5363 ( 5038 PWs) bands (ev): -13.0829 -13.0829 -13.0826 -13.0826 -11.3514 -11.3514 -11.3500 -11.3500 -10.1583 -10.1583 -10.1570 -10.1570 -3.6175 -3.6175 -3.6091 -3.6091 -2.6895 -2.6895 -2.6772 -2.6772 0.1231 0.1231 0.1425 0.1425 0.2137 0.2137 0.2223 0.2223 1.2195 1.2195 1.2444 1.2444 1.6231 1.6231 1.6281 1.6281 2.9761 2.9761 2.9775 2.9775 3.4615 3.4615 3.4638 3.4638 3.6879 3.6879 3.6909 3.6909 9.0588 9.0588 9.0717 9.0717 10.4151 10.4151 10.4418 10.4418 10.9440 10.9440 k =-0.4089 0.4561 0.5363 ( 5026 PWs) bands (ev): -13.0799 -13.0799 -13.0796 -13.0796 -11.3690 -11.3690 -11.3676 -11.3676 -10.1376 -10.1376 -10.1363 -10.1363 -3.6611 -3.6611 -3.6536 -3.6536 -2.6602 -2.6602 -2.6487 -2.6487 0.1334 0.1334 0.1526 0.1526 0.2177 0.2177 0.2240 0.2240 1.2207 1.2207 1.2437 1.2437 1.6339 1.6339 1.6387 1.6387 2.9612 2.9612 2.9624 2.9624 3.4523 3.4523 3.4544 3.4544 3.7069 3.7069 3.7096 3.7096 9.0345 9.0345 9.0465 9.0465 10.4271 10.4271 10.4520 10.4520 10.9652 10.9652 k =-0.4180 0.4413 0.5363 ( 5036 PWs) bands (ev): -13.0772 -13.0772 -13.0769 -13.0769 -11.3849 -11.3849 -11.3836 -11.3836 -10.1183 -10.1183 -10.1171 -10.1171 -3.7014 -3.7014 -3.6947 -3.6947 -2.6336 -2.6336 -2.6231 -2.6231 0.1432 0.1432 0.1619 0.1619 0.2218 0.2218 0.2260 0.2260 1.2210 1.2210 1.2420 1.2420 1.6448 1.6448 1.6494 1.6494 2.9467 2.9467 2.9476 2.9476 3.4440 3.4440 3.4459 3.4459 3.7252 3.7252 3.7276 3.7276 9.0117 9.0117 9.0225 9.0225 10.4398 10.4398 10.4628 10.4628 10.9859 10.9859 k =-0.4271 0.4266 0.5363 ( 5036 PWs) bands (ev): -13.0748 -13.0748 -13.0746 -13.0746 -11.3992 -11.3992 -11.3981 -11.3981 -10.1006 -10.1006 -10.0996 -10.0996 -3.7380 -3.7380 -3.7321 -3.7321 -2.6098 -2.6098 -2.6002 -2.6002 0.1523 0.1523 0.1703 0.1703 0.2259 0.2259 0.2283 0.2283 1.2206 1.2206 1.2395 1.2395 1.6556 1.6556 1.6599 1.6599 2.9327 2.9327 2.9335 2.9335 3.4367 3.4367 3.4384 3.4384 3.7425 3.7425 3.7446 3.7446 8.9905 8.9905 9.0003 9.0003 10.4532 10.4532 10.4743 10.4743 11.0058 11.0058 k =-0.4362 0.4118 0.5363 ( 5032 PWs) bands (ev): -13.0727 -13.0727 -13.0724 -13.0724 -11.4118 -11.4118 -11.4108 -11.4108 -10.0847 -10.0847 -10.0837 -10.0837 -3.7708 -3.7708 -3.7657 -3.7657 -2.5887 -2.5887 -2.5801 -2.5801 0.1606 0.1606 0.1775 0.1775 0.2300 0.2300 0.2310 0.2310 1.2197 1.2197 1.2364 1.2364 1.6660 1.6660 1.6699 1.6699 2.9197 2.9197 2.9203 2.9203 3.4303 3.4303 3.4319 3.4319 3.7585 3.7585 3.7603 3.7603 8.9713 8.9713 8.9799 8.9799 10.4671 10.4671 10.4861 10.4861 11.0244 11.0244 k =-0.4454 0.3971 0.5363 ( 5032 PWs) bands (ev): -13.0708 -13.0708 -13.0706 -13.0706 -11.4228 -11.4228 -11.4219 -11.4219 -10.0706 -10.0706 -10.0698 -10.0698 -3.7996 -3.7996 -3.7953 -3.7953 -2.5702 -2.5702 -2.5628 -2.5628 0.1679 0.1679 0.1833 0.1833 0.2340 0.2340 0.2341 0.2341 1.2185 1.2185 1.2330 1.2330 1.6758 1.6758 1.6792 1.6792 2.9077 2.9077 2.9083 2.9083 3.4249 3.4249 3.4262 3.4262 3.7729 3.7729 3.7745 3.7745 8.9543 8.9543 8.9618 8.9618 10.4811 10.4811 10.4979 10.4979 11.0414 11.0414 k =-0.4545 0.3823 0.5363 ( 5036 PWs) bands (ev): -13.0692 -13.0692 -13.0691 -13.0691 -11.4321 -11.4321 -11.4314 -11.4314 -10.0584 -10.0584 -10.0578 -10.0578 -3.8242 -3.8242 -3.8206 -3.8206 -2.5546 -2.5546 -2.5483 -2.5483 0.1742 0.1742 0.1877 0.1877 0.2374 0.2374 0.2381 0.2381 1.2173 1.2173 1.2294 1.2294 1.6845 1.6845 1.6875 1.6875 2.8971 2.8971 2.8976 2.8976 3.4203 3.4203 3.4214 3.4214 3.7856 3.7856 3.7869 3.7869 8.9397 8.9397 8.9460 8.9460 10.4947 10.4947 10.5091 10.5091 11.0564 11.0564 k =-0.4636 0.3675 0.5363 ( 5050 PWs) bands (ev): -13.0679 -13.0679 -13.0678 -13.0678 -11.4397 -11.4397 -11.4391 -11.4391 -10.0484 -10.0484 -10.0478 -10.0478 -3.8444 -3.8444 -3.8416 -3.8416 -2.5416 -2.5416 -2.5365 -2.5365 0.1795 0.1795 0.1906 0.1906 0.2407 0.2407 0.2416 0.2416 1.2161 1.2161 1.2259 1.2259 1.6922 1.6922 1.6946 1.6946 2.8882 2.8882 2.8885 2.8885 3.4166 3.4166 3.4175 3.4175 3.7962 3.7962 3.7973 3.7973 8.9276 8.9276 8.9327 8.9327 10.5074 10.5074 10.5191 10.5191 11.0692 11.0692 k =-0.4727 0.3528 0.5363 ( 5038 PWs) bands (ev): -13.0669 -13.0669 -13.0668 -13.0668 -11.4456 -11.4456 -11.4452 -11.4452 -10.0404 -10.0404 -10.0400 -10.0400 -3.8603 -3.8603 -3.8582 -3.8582 -2.5314 -2.5314 -2.5276 -2.5276 0.1838 0.1838 0.1924 0.1924 0.2438 0.2438 0.2447 0.2447 1.2153 1.2153 1.2227 1.2227 1.6984 1.6984 1.7003 1.7003 2.8810 2.8810 2.8812 2.8812 3.4137 3.4137 3.4144 3.4144 3.8048 3.8048 3.8055 3.8055 8.9183 8.9183 8.9221 8.9221 10.5185 10.5185 10.5275 10.5275 11.0795 11.0795 k =-0.4818 0.3380 0.5363 ( 5046 PWs) bands (ev): -13.0662 -13.0662 -13.0661 -13.0661 -11.4498 -11.4498 -11.4495 -11.4495 -10.0347 -10.0347 -10.0344 -10.0344 -3.8715 -3.8715 -3.8701 -3.8701 -2.5239 -2.5239 -2.5214 -2.5214 0.1873 0.1873 0.1930 0.1930 0.2463 0.2463 0.2470 0.2470 1.2150 1.2150 1.2199 1.2199 1.7031 1.7031 1.7043 1.7043 2.8757 2.8757 2.8759 2.8759 3.4117 3.4117 3.4122 3.4122 3.8110 3.8110 3.8115 3.8115 8.9117 8.9117 8.9143 8.9143 10.5274 10.5274 10.5335 10.5335 11.0871 11.0871 k =-0.4909 0.3232 0.5363 ( 5044 PWs) bands (ev): -13.0657 -13.0657 -13.0657 -13.0657 -11.4523 -11.4523 -11.4522 -11.4522 -10.0312 -10.0312 -10.0310 -10.0310 -3.8782 -3.8782 -3.8775 -3.8775 -2.5192 -2.5192 -2.5179 -2.5179 0.1899 0.1899 0.1928 0.1928 0.2480 0.2480 0.2484 0.2484 1.2152 1.2152 1.2177 1.2177 1.7061 1.7061 1.7067 1.7067 2.8725 2.8725 2.8726 2.8726 3.4106 3.4106 3.4108 3.4108 3.8148 3.8148 3.8151 3.8151 8.9080 8.9080 8.9093 8.9093 10.5336 10.5336 10.5367 10.5367 11.0919 11.0919 k =-0.5000 0.3085 0.5363 ( 5040 PWs) bands (ev): -13.0656 -13.0656 -13.0656 -13.0656 -11.4531 -11.4531 -11.4531 -11.4531 -10.0300 -10.0300 -10.0300 -10.0300 -3.8802 -3.8802 -3.8802 -3.8802 -2.5172 -2.5172 -2.5172 -2.5172 0.1918 0.1918 0.1918 0.1918 0.2487 0.2487 0.2487 0.2487 1.2161 1.2161 1.2161 1.2161 1.7073 1.7073 1.7073 1.7073 2.8715 2.8715 2.8715 2.8715 3.4103 3.4103 3.4103 3.4103 3.8162 3.8162 3.8162 3.8162 8.9072 8.9072 8.9072 8.9072 10.5368 10.5368 10.5368 10.5368 11.0938 11.0938 k =-0.5000 0.3085 0.5363 ( 5040 PWs) bands (ev): -13.0656 -13.0656 -13.0656 -13.0656 -11.4531 -11.4531 -11.4531 -11.4531 -10.0300 -10.0300 -10.0300 -10.0300 -3.8802 -3.8802 -3.8802 -3.8802 -2.5172 -2.5172 -2.5172 -2.5172 0.1918 0.1918 0.1918 0.1918 0.2487 0.2487 0.2487 0.2487 1.2161 1.2161 1.2161 1.2161 1.7073 1.7073 1.7073 1.7073 2.8715 2.8715 2.8715 2.8715 3.4103 3.4103 3.4103 3.4103 3.8162 3.8162 3.8162 3.8162 8.9072 8.9072 8.9072 8.9072 10.5368 10.5368 10.5368 10.5368 11.0938 11.0938 k =-0.5000 0.3085 0.5190 ( 5040 PWs) bands (ev): -13.0686 -13.0686 -13.0627 -13.0627 -11.5128 -11.5128 -11.3921 -11.3921 -10.0342 -10.0342 -10.0258 -10.0258 -3.8816 -3.8816 -3.8751 -3.8751 -2.6297 -2.6297 -2.4066 -2.4066 0.1645 0.1645 0.1957 0.1957 0.2359 0.2359 0.2796 0.2796 1.1634 1.1634 1.2706 1.2706 1.6963 1.6963 1.7163 1.7163 2.8586 2.8586 2.8828 2.8828 3.3995 3.3995 3.4228 3.4228 3.8071 3.8071 3.8263 3.8263 8.9080 8.9080 8.9150 8.9150 10.5139 10.5139 10.5517 10.5517 11.0453 11.0453 k =-0.5000 0.3085 0.5017 ( 5042 PWs) bands (ev): -13.0717 -13.0717 -13.0599 -13.0599 -11.5710 -11.5710 -11.3297 -11.3297 -10.0386 -10.0386 -10.0218 -10.0218 -3.8793 -3.8793 -3.8663 -3.8663 -2.7439 -2.7439 -2.2983 -2.2983 0.1262 0.1262 0.1832 0.1832 0.2305 0.2305 0.3198 0.3198 1.1126 1.1126 1.3264 1.3264 1.6832 1.6832 1.7237 1.7237 2.8442 2.8442 2.8926 2.8926 3.3904 3.3904 3.4369 3.4369 3.7992 3.7992 3.8375 3.8375 8.9173 8.9173 8.9315 8.9315 10.4829 10.4829 10.5591 10.5591 10.9977 10.9977 k =-0.5000 0.3085 0.4844 ( 5034 PWs) bands (ev): -13.0749 -13.0749 -13.0572 -13.0572 -11.6277 -11.6277 -11.2662 -11.2662 -10.0430 -10.0430 -10.0180 -10.0180 -3.8734 -3.8734 -3.8539 -3.8539 -2.8595 -2.8595 -2.1924 -2.1924 0.0855 0.0855 0.1625 0.1625 0.2225 0.2225 0.3624 0.3624 1.0645 1.0645 1.3833 1.3833 1.6678 1.6678 1.7300 1.7300 2.8283 2.8283 2.9011 2.9011 3.3832 3.3832 3.4520 3.4520 3.7925 3.7925 3.8495 3.8495 8.9350 8.9350 8.9565 8.9565 10.4440 10.4440 10.5595 10.5595 10.9514 10.9514 k =-0.5000 0.3085 0.4671 ( 5030 PWs) bands (ev): -13.0782 -13.0782 -13.0547 -13.0547 -11.6828 -11.6828 -11.2015 -11.2015 -10.0475 -10.0475 -10.0142 -10.0142 -3.8638 -3.8638 -3.8379 -3.8379 -2.9761 -2.9761 -2.0893 -2.0893 0.0447 0.0447 0.1358 0.1358 0.2091 0.2091 0.4047 0.4047 1.0197 1.0197 1.4409 1.4409 1.6502 1.6502 1.7356 1.7356 2.8113 2.8113 2.9085 2.9085 3.3776 3.3776 3.4678 3.4678 3.7871 3.7871 3.8624 3.8624 8.9606 8.9606 8.9898 8.9898 10.3978 10.3978 10.5536 10.5536 10.9066 10.9066 k =-0.5000 0.3085 0.4498 ( 5028 PWs) bands (ev): -13.0816 -13.0816 -13.0522 -13.0522 -11.7363 -11.7363 -11.1358 -11.1358 -10.0521 -10.0521 -10.0107 -10.0107 -3.8506 -3.8506 -3.8183 -3.8183 -3.0936 -3.0936 -1.9891 -1.9891 0.0044 0.0044 0.1040 0.1040 0.1894 0.1894 0.4452 0.4452 0.9793 0.9793 1.4988 1.4988 1.6307 1.6307 1.7411 1.7411 2.7933 2.7933 2.9151 2.9151 3.3734 3.3734 3.4838 3.4838 3.7831 3.7831 3.8759 3.8759 8.9939 8.9939 9.0313 9.0313 10.3448 10.3448 10.5425 10.5425 10.8638 10.8638 k =-0.5000 0.3085 0.4325 ( 5024 PWs) bands (ev): -13.0850 -13.0850 -13.0500 -13.0500 -11.7881 -11.7881 -11.0692 -11.0692 -10.0567 -10.0567 -10.0073 -10.0073 -3.8338 -3.8338 -3.7951 -3.7951 -3.2116 -3.2116 -1.8920 -1.8920 -0.0350 -0.0350 0.0672 0.0672 0.1631 0.1631 0.4819 0.4819 0.9451 0.9451 1.5552 1.5552 1.6114 1.6114 1.7472 1.7472 2.7746 2.7746 2.9210 2.9210 3.3704 3.3704 3.4996 3.4996 3.7805 3.7805 3.8901 3.8901 9.0344 9.0344 9.0805 9.0805 10.2860 10.2860 10.5268 10.5268 10.8232 10.8232 k =-0.5000 0.3085 0.4152 ( 5030 PWs) bands (ev): -13.0884 -13.0884 -13.0478 -13.0478 -11.8381 -11.8381 -11.0018 -11.0018 -10.0614 -10.0614 -10.0040 -10.0040 -3.8134 -3.8134 -3.7685 -3.7685 -3.3298 -3.3298 -1.7984 -1.7984 -0.0733 -0.0733 0.0258 0.0258 0.1299 0.1299 0.5121 0.5121 0.9195 0.9195 1.5773 1.5773 1.6249 1.6249 1.7542 1.7542 2.7557 2.7557 2.9266 2.9266 3.3682 3.3682 3.5147 3.5147 3.7793 3.7793 3.9048 3.9048 9.0814 9.0814 9.1371 9.1371 10.2222 10.2222 10.5075 10.5075 10.7853 10.7853 k =-0.5000 0.3085 0.3979 ( 5020 PWs) bands (ev): -13.0919 -13.0919 -13.0458 -13.0458 -11.8864 -11.8864 -10.9338 -10.9338 -10.0660 -10.0660 -10.0009 -10.0009 -3.7896 -3.7896 -3.7384 -3.7384 -3.4478 -3.4478 -1.7082 -1.7082 -0.1106 -0.1106 -0.0201 -0.0201 0.0901 0.0901 0.5325 0.5325 0.9055 0.9055 1.5560 1.5560 1.6806 1.6806 1.7627 1.7627 2.7367 2.7367 2.9319 2.9319 3.3665 3.3665 3.5287 3.5287 3.7796 3.7796 3.9200 3.9200 9.1344 9.1344 9.2005 9.2005 10.1544 10.1544 10.4853 10.4853 10.7505 10.7505 k =-0.5000 0.3085 0.3806 ( 5012 PWs) bands (ev): -13.0953 -13.0953 -13.0439 -13.0439 -11.9328 -11.9328 -10.8653 -10.8653 -10.0707 -10.0707 -9.9980 -9.9980 -3.7623 -3.7623 -3.7050 -3.7050 -3.5653 -3.5653 -1.6217 -1.6217 -0.1469 -0.1469 -0.0703 -0.0703 0.0437 0.0437 0.5407 0.5407 0.9057 0.9057 1.5308 1.5308 1.7388 1.7388 1.7733 1.7733 2.7180 2.7180 2.9370 2.9370 3.3651 3.3651 3.5413 3.5413 3.7815 3.7815 3.9354 3.9354 9.1924 9.1924 9.2703 9.2703 10.0833 10.0833 10.4608 10.4608 10.7192 10.7192 k =-0.5000 0.3085 0.3633 ( 5012 PWs) bands (ev): -13.0988 -13.0988 -13.0422 -13.0422 -11.9774 -11.9774 -10.7965 -10.7965 -10.0753 -10.0753 -9.9953 -9.9953 -3.7321 -3.7321 -3.6819 -3.6819 -3.6682 -3.6682 -1.5389 -1.5389 -0.1824 -0.1824 -0.1243 -0.1243 -0.0089 -0.0089 0.5361 0.5361 0.9204 0.9204 1.5047 1.5047 1.7826 1.7826 1.8004 1.8004 2.6997 2.6997 2.9421 2.9421 3.3638 3.3638 3.5523 3.5523 3.7848 3.7848 3.9511 3.9511 9.2547 9.2547 9.3458 9.3458 10.0099 10.0099 10.4347 10.4347 10.6919 10.6919 k =-0.5000 0.3085 0.3460 ( 5012 PWs) bands (ev): -13.1023 -13.1023 -13.0406 -13.0406 -12.0201 -12.0201 -10.7276 -10.7276 -10.0799 -10.0799 -9.9927 -9.9927 -3.7982 -3.7982 -3.6973 -3.6973 -3.6284 -3.6284 -1.4601 -1.4601 -0.2186 -0.2186 -0.1809 -0.1809 -0.0670 -0.0670 0.5211 0.5211 0.9468 0.9468 1.4783 1.4783 1.7980 1.7980 1.8576 1.8576 2.6821 2.6821 2.9472 2.9472 3.3623 3.3623 3.5614 3.5614 3.7895 3.7895 3.9668 3.9668 9.3202 9.3202 9.4264 9.4264 9.9349 9.9349 10.4075 10.4075 10.6691 10.6691 k =-0.5000 0.3085 0.3287 ( 5008 PWs) bands (ev): -13.1057 -13.1057 -13.0391 -13.0391 -12.0609 -12.0609 -10.6587 -10.6587 -10.0844 -10.0844 -9.9903 -9.9903 -3.9123 -3.9123 -3.6604 -3.6604 -3.5855 -3.5855 -1.3852 -1.3852 -0.2618 -0.2618 -0.2334 -0.2334 -0.1300 -0.1300 0.4992 0.4992 0.9814 0.9814 1.4522 1.4522 1.8143 1.8143 1.9154 1.9154 2.6652 2.6652 2.9522 2.9522 3.3606 3.3606 3.5684 3.5684 3.7958 3.7958 3.9826 3.9826 9.3877 9.3877 9.5114 9.5114 9.8591 9.8591 10.3797 10.3797 10.6517 10.6517 k =-0.5000 0.3085 0.3114 ( 5010 PWs) bands (ev): -13.1091 -13.1091 -13.0377 -13.0377 -12.0998 -12.0998 -10.5901 -10.5901 -10.0888 -10.0888 -9.9880 -9.9880 -4.0247 -4.0247 -3.6203 -3.6203 -3.5396 -3.5396 -1.3144 -1.3144 -0.3215 -0.3215 -0.2736 -0.2736 -0.1962 -0.1962 0.4732 0.4732 1.0211 1.0211 1.4267 1.4267 1.8325 1.8325 1.9723 1.9723 2.6491 2.6491 2.9573 2.9573 3.3586 3.3586 3.5734 3.5734 3.8033 3.8033 3.9983 3.9983 9.4560 9.4560 9.6001 9.6001 9.7830 9.7830 10.3514 10.3514 10.6403 10.6403 k =-0.5000 0.3085 0.2941 ( 5014 PWs) bands (ev): -13.1123 -13.1123 -13.0365 -13.0365 -12.1367 -12.1367 -10.5221 -10.5221 -10.0931 -10.0931 -9.9859 -9.9859 -4.1348 -4.1348 -3.5773 -3.5773 -3.4908 -3.4908 -1.2476 -1.2476 -0.3900 -0.3900 -0.3132 -0.3132 -0.2604 -0.2604 0.4452 0.4452 1.0636 1.0636 1.4020 1.4020 1.8524 1.8524 2.0282 2.0282 2.6340 2.6340 2.9623 2.9623 3.3563 3.3563 3.5762 3.5762 3.8122 3.8122 4.0138 4.0138 9.5234 9.5234 9.6916 9.6916 9.7076 9.7076 10.3232 10.3232 10.6360 10.6360 k =-0.5000 0.3085 0.2768 ( 5018 PWs) bands (ev): -13.1156 -13.1156 -13.0354 -13.0354 -12.1716 -12.1716 -10.4549 -10.4549 -10.0972 -10.0972 -9.9840 -9.9840 -4.2425 -4.2425 -3.5315 -3.5315 -3.4395 -3.4395 -1.1848 -1.1848 -0.4627 -0.4627 -0.3695 -0.3695 -0.3088 -0.3088 0.4165 0.4165 1.1073 1.1073 1.3786 1.3786 1.8740 1.8740 2.0828 2.0828 2.6197 2.6197 2.9672 2.9672 3.3536 3.3536 3.5769 3.5769 3.8223 3.8223 4.0291 4.0291 9.5878 9.5878 9.6333 9.6333 9.7860 9.7860 10.2953 10.2953 10.6396 10.6396 k =-0.5000 0.3085 0.2595 ( 5004 PWs) bands (ev): -13.1187 -13.1187 -13.0344 -13.0344 -12.2044 -12.2044 -10.3887 -10.3887 -10.1013 -10.1013 -9.9822 -9.9822 -4.3471 -4.3471 -3.4832 -3.4832 -3.3856 -3.3856 -1.1262 -1.1262 -0.5386 -0.5386 -0.4427 -0.4427 -0.3412 -0.3412 0.3879 0.3879 1.1510 1.1510 1.3567 1.3567 1.8970 1.8970 2.1358 2.1358 2.6065 2.6065 2.9720 2.9720 3.3506 3.3506 3.5757 3.5757 3.8335 3.8335 4.0440 4.0440 9.5584 9.5584 9.6509 9.6509 9.8815 9.8815 10.2680 10.2680 10.6521 10.6521 k =-0.5000 0.3085 0.2422 ( 5000 PWs) bands (ev): -13.1217 -13.1217 -13.0334 -13.0334 -12.2353 -12.2353 -10.3240 -10.3240 -10.1051 -10.1051 -9.9805 -9.9805 -4.4483 -4.4483 -3.4326 -3.4326 -3.3294 -3.3294 -1.0716 -1.0716 -0.6170 -0.6170 -0.5224 -0.5224 -0.3677 -0.3677 0.3601 0.3601 1.1938 1.1938 1.3365 1.3365 1.9210 1.9210 2.1869 2.1869 2.5941 2.5941 2.9766 2.9766 3.3474 3.3474 3.5725 3.5725 3.8456 3.8456 4.0584 4.0584 9.4873 9.4873 9.7066 9.7066 9.9777 9.9777 10.2415 10.2415 10.6745 10.6745 k =-0.5000 0.3085 0.2249 ( 5000 PWs) bands (ev): -13.1245 -13.1245 -13.0326 -13.0326 -12.2640 -12.2640 -10.2610 -10.2610 -10.1088 -10.1088 -9.9790 -9.9790 -4.5456 -4.5456 -3.3800 -3.3800 -3.2712 -3.2712 -1.0212 -1.0212 -0.6971 -0.6971 -0.6050 -0.6050 -0.3911 -0.3911 0.3333 0.3333 1.2343 1.2343 1.3190 1.3190 1.9458 1.9458 2.2359 2.2359 2.5827 2.5827 2.9809 2.9809 3.3439 3.3439 3.5676 3.5676 3.8584 3.8584 4.0722 4.0722 9.4185 9.4185 9.7560 9.7560 10.0735 10.0735 10.2164 10.2164 10.7070 10.7070 k =-0.5000 0.3085 0.2076 ( 5002 PWs) bands (ev): -13.1272 -13.1272 -13.0319 -13.0319 -12.2908 -12.2908 -10.2002 -10.2002 -10.1122 -10.1122 -9.9776 -9.9776 -4.6386 -4.6386 -3.3257 -3.3257 -3.2112 -3.2112 -0.9753 -0.9753 -0.7782 -0.7782 -0.6888 -0.6888 -0.4125 -0.4125 0.3078 0.3078 1.2673 1.2673 1.3088 1.3088 1.9711 1.9711 2.2826 2.2826 2.5722 2.5722 2.9851 2.9851 3.3402 3.3402 3.5613 3.5613 3.8717 3.8717 4.0854 4.0854 9.3526 9.3526 9.7982 9.7982 10.1627 10.1627 10.1983 10.1983 10.7496 10.7496 k =-0.5000 0.3085 0.1903 ( 5002 PWs) bands (ev): -13.1298 -13.1298 -13.0313 -13.0313 -12.3154 -12.3154 -10.1421 -10.1421 -10.1153 -10.1153 -9.9763 -9.9763 -4.7269 -4.7269 -3.2701 -3.2701 -3.1499 -3.1499 -0.9362 -0.9362 -0.8574 -0.8574 -0.7727 -0.7727 -0.4319 -0.4319 0.2838 0.2838 1.2725 1.2725 1.3259 1.3259 1.9965 1.9965 2.3267 2.3267 2.5627 2.5627 2.9889 2.9889 3.3365 3.3365 3.5536 3.5536 3.8854 3.8854 4.0979 4.0979 9.2901 9.2901 9.8331 9.8331 10.1644 10.1644 10.2678 10.2678 10.8016 10.8016 k =-0.5000 0.3085 0.1730 ( 5008 PWs) bands (ev): -13.1322 -13.1322 -13.0307 -13.0307 -12.3379 -12.3379 -10.1187 -10.1187 -10.0865 -10.0865 -9.9750 -9.9750 -4.8098 -4.8098 -3.2137 -3.2137 -3.0875 -3.0875 -0.9528 -0.9528 -0.8865 -0.8865 -0.8544 -0.8544 -0.4496 -0.4496 0.2616 0.2616 1.2617 1.2617 1.3581 1.3581 2.0217 2.0217 2.3680 2.3680 2.5541 2.5541 2.9923 2.9923 3.3328 3.3328 3.5450 3.5450 3.8990 3.8990 4.1095 4.1095 9.2313 9.2313 9.8612 9.8612 10.1436 10.1436 10.3590 10.3590 10.8614 10.8614 k =-0.5000 0.3085 0.1557 ( 5008 PWs) bands (ev): -13.1344 -13.1344 -13.0303 -13.0303 -12.3583 -12.3583 -10.1214 -10.1214 -10.0349 -10.0349 -9.9736 -9.9736 -4.8870 -4.8870 -3.1570 -3.1570 -3.0247 -3.0247 -1.0305 -1.0305 -0.9399 -0.9399 -0.8524 -0.8524 -0.4655 -0.4655 0.2411 0.2411 1.2498 1.2498 1.3904 1.3904 2.0462 2.0462 2.4061 2.4061 2.5464 2.5464 2.9954 2.9954 3.3291 3.3291 3.5357 3.5357 3.9125 3.9125 4.1203 4.1203 9.1768 9.1768 9.8833 9.8833 10.1236 10.1236 10.4483 10.4483 10.9272 10.9272 k =-0.5000 0.3085 0.1384 ( 5012 PWs) bands (ev): -13.1364 -13.1364 -13.0299 -13.0299 -12.3766 -12.3766 -10.1239 -10.1239 -9.9895 -9.9895 -9.9699 -9.9699 -4.9579 -4.9579 -3.1007 -3.1007 -2.9620 -2.9620 -1.1101 -1.1101 -1.0190 -1.0190 -0.8224 -0.8224 -0.4798 -0.4798 0.2225 0.2225 1.2388 1.2388 1.4203 1.4203 2.0696 2.0696 2.4410 2.4410 2.5395 2.5395 2.9981 2.9981 3.3257 3.3257 3.5261 3.5261 3.9256 3.9256 4.1302 4.1302 9.1268 9.1268 9.9004 9.9004 10.1051 10.1051 10.5342 10.5342 10.9966 10.9966 k =-0.5000 0.3085 0.1211 ( 5020 PWs) bands (ev): -13.1382 -13.1382 -13.0295 -13.0295 -12.3928 -12.3928 -10.1262 -10.1262 -9.9748 -9.9748 -9.9399 -9.9399 -5.0219 -5.0219 -3.0458 -3.0458 -2.9005 -2.9005 -1.1876 -1.1876 -1.0950 -1.0950 -0.7952 -0.7952 -0.4924 -0.4924 0.2059 0.2059 1.2290 1.2290 1.4474 1.4474 2.0916 2.0916 2.4721 2.4721 2.5337 2.5337 3.0004 3.0004 3.3224 3.3224 3.5165 3.5165 3.9379 3.9379 4.1390 4.1390 9.0817 9.0817 9.9134 9.9134 10.0885 10.0885 10.6159 10.6159 11.0639 11.0639 k =-0.5000 0.3085 0.1038 ( 5014 PWs) bands (ev): -13.1397 -13.1397 -13.0292 -13.0292 -12.4068 -12.4068 -10.1281 -10.1281 -9.9732 -9.9732 -9.9016 -9.9016 -5.0787 -5.0787 -2.9934 -2.9934 -2.8410 -2.8410 -1.2613 -1.2613 -1.1662 -1.1662 -0.7715 -0.7715 -0.5033 -0.5033 0.1913 0.1913 1.2205 1.2205 1.4713 1.4713 2.1118 2.1118 2.4992 2.4992 2.5291 2.5291 3.0022 3.0022 3.3194 3.3194 3.5072 3.5072 3.9492 3.9492 4.1468 4.1468 9.0420 9.0420 9.9231 9.9231 10.0739 10.0739 10.6924 10.6924 11.0659 11.0659 k =-0.5000 0.3085 0.0865 ( 5008 PWs) bands (ev): -13.1411 -13.1411 -13.0290 -13.0290 -12.4187 -12.4187 -10.1298 -10.1298 -9.9724 -9.9724 -9.8678 -9.8678 -5.1277 -5.1277 -2.9446 -2.9446 -2.7850 -2.7850 -1.3296 -1.3296 -1.2311 -1.2311 -0.7514 -0.7514 -0.5125 -0.5125 0.1788 0.1788 1.2134 1.2134 1.4917 1.4917 2.1297 2.1297 2.5180 2.5180 2.5297 2.5297 3.0038 3.0038 3.3168 3.3168 3.4987 3.4987 3.9592 3.9592 4.1535 4.1535 9.0078 9.0078 9.9303 9.9303 10.0614 10.0614 10.7627 10.7627 11.0364 11.0364 k =-0.5000 0.3085 0.0692 ( 5000 PWs) bands (ev): -13.1422 -13.1422 -13.0288 -13.0288 -12.4284 -12.4284 -10.1312 -10.1312 -9.9718 -9.9718 -9.8394 -9.8394 -5.1684 -5.1684 -2.9011 -2.9011 -2.7343 -2.7343 -1.3906 -1.3906 -1.2881 -1.2881 -0.7350 -0.7350 -0.5200 -0.5200 0.1686 0.1686 1.2076 1.2076 1.5086 1.5086 2.1450 2.1450 2.5186 2.5186 2.5452 2.5452 3.0049 3.0049 3.3146 3.3146 3.4912 3.4912 3.9678 3.9678 4.1590 4.1590 8.9794 8.9794 9.9355 9.9355 10.0511 10.0511 10.8253 10.8253 11.0108 11.0108 k =-0.5000 0.3085 0.0519 ( 4996 PWs) bands (ev): -13.1430 -13.1430 -13.0287 -13.0287 -12.4360 -12.4360 -10.1323 -10.1323 -9.9714 -9.9714 -9.8169 -9.8169 -5.2005 -5.2005 -2.8645 -2.8645 -2.6909 -2.6909 -1.4420 -1.4420 -1.3353 -1.3353 -0.7221 -0.7221 -0.5259 -0.5259 0.1605 0.1605 1.2031 1.2031 1.5219 1.5219 2.1573 2.1573 2.5164 2.5164 2.5600 2.5600 3.0058 3.0058 3.3128 3.3128 3.4850 3.4850 3.9747 3.9747 4.1634 4.1634 8.9571 8.9571 9.9390 9.9390 10.0431 10.0431 10.8786 10.8786 10.9904 10.9904 k =-0.5000 0.3085 0.0346 ( 4988 PWs) bands (ev): -13.1437 -13.1437 -13.0285 -13.0285 -12.4414 -12.4414 -10.1331 -10.1331 -9.9712 -9.9712 -9.8006 -9.8006 -5.2237 -5.2237 -2.8367 -2.8367 -2.6574 -2.6574 -1.4813 -1.4813 -1.3708 -1.3708 -0.7130 -0.7130 -0.5301 -0.5301 0.1547 0.1547 1.1999 1.1999 1.5314 1.5314 2.1663 2.1663 2.5146 2.5146 2.5710 2.5710 3.0064 3.0064 3.3116 3.3116 3.4804 3.4804 3.9798 3.9798 4.1665 4.1665 8.9411 8.9411 9.9413 9.9413 10.0374 10.0374 10.9201 10.9201 10.9756 10.9756 k =-0.5000 0.3085 0.0173 ( 4988 PWs) bands (ev): -13.1440 -13.1440 -13.0285 -13.0285 -12.4446 -12.4446 -10.1336 -10.1336 -9.9710 -9.9710 -9.7907 -9.7907 -5.2377 -5.2377 -2.8192 -2.8192 -2.6360 -2.6360 -1.5062 -1.5062 -1.3929 -1.3929 -0.7075 -0.7075 -0.5326 -0.5326 0.1512 0.1512 1.1980 1.1980 1.5371 1.5371 2.1718 2.1718 2.5135 2.5135 2.5776 2.5776 3.0067 3.0067 3.3108 3.3108 3.4776 3.4776 3.9828 3.9828 4.1684 4.1684 8.9314 8.9314 9.9426 9.9426 10.0340 10.0340 10.9468 10.9468 10.9666 10.9666 k =-0.5000 0.3085-0.0000 ( 4992 PWs) bands (ev): -13.1442 -13.1442 -13.0285 -13.0285 -12.4457 -12.4457 -10.1337 -10.1337 -9.9710 -9.9710 -9.7873 -9.7873 -5.2424 -5.2424 -2.8133 -2.8133 -2.6287 -2.6287 -1.5147 -1.5147 -1.4004 -1.4004 -0.7057 -0.7057 -0.5335 -0.5335 0.1501 0.1501 1.1974 1.1974 1.5391 1.5391 2.1737 2.1737 2.5131 2.5131 2.5798 2.5798 3.0068 3.0068 3.3105 3.3105 3.4766 3.4766 3.9839 3.9839 4.1690 4.1690 8.9281 8.9281 9.9430 9.9430 10.0329 10.0329 10.9563 10.9563 10.9635 10.9635 k = 0.0000 0.0000 0.5363 ( 5010 PWs) bands (ev): -13.2984 -13.2984 -13.2984 -13.2984 -10.9564 -10.9564 -10.9564 -10.9564 -10.0634 -10.0634 -10.0634 -10.0634 -4.7643 -4.7643 -4.7643 -4.7643 -1.8139 -1.8139 -1.8139 -1.8139 -0.4522 -0.4522 -0.4522 -0.4522 0.2696 0.2696 0.2696 0.2696 1.0294 1.0294 1.0294 1.0294 2.1754 2.1754 2.1754 2.1754 3.2552 3.2552 3.2552 3.2552 3.6521 3.6521 3.6521 3.6521 3.9816 3.9816 3.9816 3.9816 8.9808 8.9808 8.9808 8.9808 9.1145 9.1145 9.1145 9.1145 11.4492 11.4492 k =-0.0147 0.0091 0.5363 ( 5010 PWs) bands (ev): -13.2980 -13.2980 -13.2980 -13.2980 -10.9576 -10.9576 -10.9574 -10.9574 -10.0635 -10.0635 -10.0630 -10.0630 -4.7633 -4.7633 -4.7624 -4.7624 -1.8154 -1.8154 -1.8146 -1.8146 -0.4526 -0.4526 -0.4500 -0.4500 0.2703 0.2703 0.2716 0.2716 1.0277 1.0277 1.0290 1.0290 2.1756 2.1756 2.1767 2.1767 3.2537 3.2537 3.2545 3.2545 3.6456 3.6456 3.6481 3.6481 3.9845 3.9845 3.9856 3.9856 8.9740 8.9740 8.9848 8.9848 9.1131 9.1131 9.1234 9.1234 11.4488 11.4488 k =-0.0294 0.0181 0.5363 ( 5002 PWs) bands (ev): -13.2968 -13.2968 -13.2967 -13.2967 -10.9610 -10.9610 -10.9606 -10.9606 -10.0632 -10.0632 -10.0622 -10.0622 -4.7595 -4.7595 -4.7577 -4.7577 -1.8192 -1.8192 -1.8176 -1.8176 -0.4515 -0.4515 -0.4462 -0.4462 0.2737 0.2737 0.2762 0.2762 1.0240 1.0240 1.0265 1.0265 2.1773 2.1773 2.1794 2.1794 3.2500 3.2500 3.2516 3.2516 3.6295 3.6295 3.6343 3.6343 3.9936 3.9936 3.9956 3.9956 8.9660 8.9660 8.9853 8.9853 9.1202 9.1202 9.1386 9.1386 11.4493 11.4493 k =-0.0441 0.0272 0.5363 ( 5006 PWs) bands (ev): -13.2948 -13.2948 -13.2946 -13.2946 -10.9666 -10.9666 -10.9659 -10.9659 -10.0625 -10.0625 -10.0610 -10.0610 -4.7528 -4.7528 -4.7501 -4.7501 -1.8253 -1.8253 -1.8228 -1.8228 -0.4486 -0.4486 -0.4408 -0.4408 0.2798 0.2798 0.2835 0.2835 1.0182 1.0182 1.0220 1.0220 2.1803 2.1803 2.1835 2.1835 3.2440 3.2440 3.2465 3.2465 3.6058 3.6058 3.6126 3.6126 4.0072 4.0072 4.0097 4.0097 8.9576 8.9576 8.9827 8.9827 9.1352 9.1352 9.1589 9.1589 11.4508 11.4508 k =-0.0588 0.0363 0.5363 ( 5000 PWs) bands (ev): -13.2919 -13.2919 -13.2917 -13.2917 -10.9742 -10.9742 -10.9734 -10.9734 -10.0616 -10.0616 -10.0595 -10.0595 -4.7433 -4.7433 -4.7398 -4.7398 -1.8335 -1.8335 -1.8303 -1.8303 -0.4440 -0.4440 -0.4339 -0.4339 0.2885 0.2885 0.2934 0.2934 1.0105 1.0105 1.0156 1.0156 2.1844 2.1844 2.1888 2.1888 3.2357 3.2357 3.2390 3.2390 3.5770 3.5770 3.5854 3.5854 4.0231 4.0231 4.0260 4.0260 8.9497 8.9497 8.9781 8.9781 9.1568 9.1568 9.1836 9.1836 11.4530 11.4530 k =-0.0735 0.0454 0.5363 ( 4996 PWs) bands (ev): -13.2883 -13.2883 -13.2879 -13.2879 -10.9839 -10.9839 -10.9829 -10.9829 -10.0603 -10.0603 -10.0578 -10.0578 -4.7311 -4.7311 -4.7267 -4.7267 -1.8439 -1.8439 -1.8401 -1.8401 -0.4376 -0.4376 -0.4254 -0.4254 0.2998 0.2998 0.3059 0.3059 1.0008 1.0008 1.0072 1.0072 2.1893 2.1893 2.1950 2.1950 3.2250 3.2250 3.2292 3.2292 3.5451 3.5451 3.5549 3.5549 4.0397 4.0397 4.0428 4.0428 8.9425 8.9425 8.9726 8.9726 9.1838 9.1838 9.2122 9.2122 11.4559 11.4559 k =-0.0882 0.0544 0.5363 ( 4996 PWs) bands (ev): -13.2839 -13.2839 -13.2835 -13.2835 -10.9955 -10.9955 -10.9944 -10.9944 -10.0587 -10.0587 -10.0559 -10.0559 -4.7161 -4.7161 -4.7109 -4.7109 -1.8563 -1.8563 -1.8520 -1.8520 -0.4296 -0.4296 -0.4153 -0.4153 0.3136 0.3136 0.3208 0.3208 0.9892 0.9892 0.9970 0.9970 2.1948 2.1948 2.2017 2.2017 3.2119 3.2119 3.2170 3.2170 3.5117 3.5117 3.5229 3.5229 4.0557 4.0557 4.0588 4.0588 8.9362 8.9362 8.9668 8.9668 9.2153 9.2153 9.2444 9.2444 11.4594 11.4594 k =-0.1029 0.0635 0.5363 ( 5000 PWs) bands (ev): -13.2787 -13.2787 -13.2782 -13.2782 -11.0089 -11.0089 -11.0076 -11.0076 -10.0570 -10.0570 -10.0538 -10.0538 -4.6984 -4.6984 -4.6924 -4.6924 -1.8708 -1.8708 -1.8660 -1.8660 -0.4199 -0.4199 -0.4039 -0.4039 0.3298 0.3298 0.3382 0.3382 0.9757 0.9757 0.9851 0.9851 2.2004 2.2004 2.2087 2.2087 3.1964 3.1964 3.2024 3.2024 3.4783 3.4783 3.4905 3.4905 4.0702 4.0702 4.0734 4.0734 8.9307 8.9307 8.9611 8.9611 9.2508 9.2508 9.2801 9.2801 11.4632 11.4632 k =-0.1176 0.0726 0.5363 ( 5000 PWs) bands (ev): -13.2728 -13.2728 -13.2722 -13.2722 -11.0239 -11.0239 -11.0225 -11.0225 -10.0551 -10.0551 -10.0516 -10.0516 -4.6782 -4.6782 -4.6714 -4.6714 -1.8873 -1.8873 -1.8821 -1.8821 -0.4085 -0.4085 -0.3910 -0.3910 0.3484 0.3484 0.3579 0.3579 0.9606 0.9606 0.9715 0.9715 2.2056 2.2056 2.2152 2.2152 3.1788 3.1788 3.1856 3.1856 3.4459 3.4459 3.4589 3.4589 4.0828 4.0828 4.0859 4.0859 8.9259 8.9259 8.9558 8.9558 9.2897 9.2897 9.3191 9.3191 11.4672 11.4672 k =-0.1324 0.0817 0.5363 ( 5002 PWs) bands (ev): -13.2661 -13.2661 -13.2656 -13.2656 -11.0403 -11.0403 -11.0389 -11.0389 -10.0531 -10.0531 -10.0493 -10.0493 -4.6555 -4.6555 -4.6480 -4.6480 -1.9056 -1.9056 -1.9002 -1.9002 -0.3955 -0.3955 -0.3768 -0.3768 0.3691 0.3691 0.3798 0.3798 0.9438 0.9438 0.9564 0.9564 2.2098 2.2098 2.2209 2.2209 3.1594 3.1594 3.1670 3.1670 3.4152 3.4152 3.4287 3.4287 4.0929 4.0929 4.0960 4.0960 8.9219 8.9219 8.9509 8.9509 9.3317 9.3317 9.3611 9.3611 11.4711 11.4711 k =-0.1471 0.0907 0.5363 ( 4998 PWs) bands (ev): -13.2589 -13.2589 -13.2582 -13.2582 -11.0582 -11.0582 -11.0567 -11.0567 -10.0511 -10.0511 -10.0470 -10.0470 -4.6303 -4.6303 -4.6222 -4.6222 -1.9257 -1.9257 -1.9202 -1.9202 -0.3809 -0.3809 -0.3612 -0.3612 0.3919 0.3919 0.4039 0.4039 0.9255 0.9255 0.9398 0.9398 2.2124 2.2124 2.2250 2.2250 3.1390 3.1390 3.1474 3.1474 3.3865 3.3865 3.4002 3.4002 4.1004 4.1004 4.1036 4.1036 8.9185 8.9185 8.9464 8.9464 9.3765 9.3765 9.4060 9.4060 11.4747 11.4747 k =-0.1618 0.0998 0.5363 ( 4994 PWs) bands (ev): -13.2510 -13.2510 -13.2503 -13.2503 -11.0772 -11.0772 -11.0757 -11.0757 -10.0490 -10.0490 -10.0448 -10.0448 -4.6029 -4.6029 -4.5942 -4.5942 -1.9475 -1.9475 -1.9420 -1.9420 -0.3649 -0.3649 -0.3445 -0.3445 0.4167 0.4167 0.4299 0.4299 0.9057 0.9057 0.9221 0.9221 2.2128 2.2128 2.2269 2.2269 3.1184 3.1184 3.1277 3.1277 3.3600 3.3600 3.3737 3.3737 4.1053 4.1053 4.1085 4.1085 8.9156 8.9156 8.9423 8.9423 9.4237 9.4237 9.4535 9.4535 11.4777 11.4777 k =-0.1765 0.1089 0.5363 ( 4998 PWs) bands (ev): -13.2425 -13.2425 -13.2418 -13.2418 -11.0972 -11.0972 -11.0957 -11.0957 -10.0470 -10.0470 -10.0427 -10.0427 -4.5734 -4.5734 -4.5640 -4.5640 -1.9709 -1.9709 -1.9654 -1.9654 -0.3475 -0.3475 -0.3266 -0.3266 0.4431 0.4431 0.4579 0.4579 0.8847 0.8847 0.9032 0.9032 2.2103 2.2103 2.2259 2.2259 3.0987 3.0987 3.1087 3.1087 3.3355 3.3355 3.3489 3.3489 4.1074 4.1074 4.1106 4.1106 8.9131 8.9131 8.9386 8.9386 9.4732 9.4732 9.5035 9.5035 11.4799 11.4799 k =-0.1912 0.1179 0.5363 ( 4988 PWs) bands (ev): -13.2335 -13.2335 -13.2327 -13.2327 -11.1181 -11.1181 -11.1166 -11.1166 -10.0451 -10.0451 -10.0406 -10.0406 -4.5418 -4.5418 -4.5319 -4.5319 -1.9958 -1.9958 -1.9905 -1.9905 -0.3288 -0.3288 -0.3076 -0.3076 0.4710 0.4710 0.4875 0.4875 0.8626 0.8626 0.8835 0.8835 2.2045 2.2045 2.2215 2.2215 3.0809 3.0809 3.0916 3.0916 3.3128 3.3128 3.3257 3.3257 4.1068 4.1068 4.1101 4.1101 8.9111 8.9111 8.9352 8.9352 9.5245 9.5245 9.5555 9.5555 11.4810 11.4810 k =-0.2059 0.1270 0.5363 ( 4988 PWs) bands (ev): -13.2240 -13.2240 -13.2232 -13.2232 -11.1396 -11.1396 -11.1381 -11.1381 -10.0432 -10.0432 -10.0387 -10.0387 -4.5083 -4.5083 -4.4980 -4.4980 -2.0221 -2.0221 -2.0169 -2.0169 -0.3089 -0.3089 -0.2876 -0.2876 0.4999 0.4999 0.5185 0.5185 0.8396 0.8396 0.8633 0.8633 2.1948 2.1948 2.2132 2.2132 3.0659 3.0659 3.0771 3.0771 3.2917 3.2917 3.3041 3.3041 4.1036 4.1036 4.1070 4.1070 8.9094 8.9094 8.9322 8.9322 9.5775 9.5775 9.6093 9.6093 11.4807 11.4807 k =-0.2206 0.1361 0.5363 ( 4992 PWs) bands (ev): -13.2141 -13.2141 -13.2133 -13.2133 -11.1616 -11.1616 -11.1602 -11.1602 -10.0415 -10.0415 -10.0370 -10.0370 -4.4732 -4.4732 -4.4625 -4.4625 -2.0497 -2.0497 -2.0447 -2.0447 -0.2880 -0.2880 -0.2668 -0.2668 0.5293 0.5293 0.5505 0.5505 0.8162 0.8162 0.8432 0.8432 2.1812 2.1812 2.2008 2.2008 3.0540 3.0540 3.0655 3.0655 3.2723 3.2723 3.2840 3.2840 4.0979 4.0979 4.1014 4.1014 8.9080 8.9080 8.9295 8.9295 9.6319 9.6319 9.6646 9.6646 11.4787 11.4787 k =-0.2353 0.1452 0.5363 ( 4996 PWs) bands (ev): -13.2039 -13.2039 -13.2031 -13.2031 -11.1840 -11.1840 -11.1826 -11.1826 -10.0399 -10.0399 -10.0354 -10.0354 -4.4365 -4.4365 -4.4256 -4.4256 -2.0784 -2.0784 -2.0737 -2.0737 -0.2661 -0.2661 -0.2451 -0.2451 0.5581 0.5581 0.5826 0.5826 0.7931 0.7931 0.8242 0.8242 2.1635 2.1635 2.1842 2.1842 3.0453 3.0453 3.0569 3.0569 3.2547 3.2547 3.2655 3.2655 4.0898 4.0898 4.0935 4.0935 8.9068 8.9068 8.9270 8.9270 9.6873 9.6873 9.7211 9.7211 11.4747 11.4747 k =-0.2500 0.1542 0.5363 ( 4992 PWs) bands (ev): -13.1934 -13.1934 -13.1926 -13.1926 -11.2065 -11.2065 -11.2052 -11.2052 -10.0384 -10.0384 -10.0340 -10.0340 -4.3986 -4.3986 -4.3874 -4.3874 -2.1081 -2.1081 -2.1036 -2.1036 -0.2434 -0.2434 -0.2227 -0.2227 0.5845 0.5845 0.6130 0.6130 0.7722 0.7722 0.8080 0.8080 2.1420 2.1420 2.1636 2.1636 3.0394 3.0394 3.0507 3.0507 3.2395 3.2395 3.2492 3.2492 4.0795 4.0795 4.0834 4.0834 8.9058 8.9058 8.9248 8.9248 9.7436 9.7436 9.7785 9.7785 11.4684 11.4684 k =-0.2647 0.1633 0.5363 ( 4996 PWs) bands (ev): -13.1828 -13.1828 -13.1819 -13.1819 -11.2290 -11.2290 -11.2278 -11.2278 -10.0371 -10.0371 -10.0328 -10.0328 -4.3595 -4.3595 -4.3482 -4.3482 -2.1386 -2.1386 -2.1344 -2.1344 -0.2199 -0.2199 -0.1996 -0.1996 0.6053 0.6053 0.6370 0.6370 0.7581 0.7581 0.7978 0.7978 2.1171 2.1171 2.1395 2.1395 3.0353 3.0353 3.0460 3.0460 3.2272 3.2272 3.2357 3.2357 4.0672 4.0672 4.0713 4.0713 8.9051 8.9051 8.9228 8.9228 9.8005 9.8005 9.8366 9.8366 11.4595 11.4595 k =-0.2794 0.1724 0.5363 ( 4994 PWs) bands (ev): -13.1720 -13.1720 -13.1711 -13.1711 -11.2513 -11.2513 -11.2501 -11.2501 -10.0360 -10.0360 -10.0318 -10.0318 -4.3197 -4.3197 -4.3083 -4.3083 -2.1698 -2.1698 -2.1659 -2.1659 -0.1958 -0.1958 -0.1760 -0.1760 0.6160 0.6160 0.6456 0.6456 0.7597 0.7597 0.7979 0.7979 2.0893 2.0893 2.1124 2.1124 3.0314 3.0314 3.0413 3.0413 3.2189 3.2189 3.2261 3.2261 4.0532 4.0532 4.0574 4.0574 8.9045 8.9045 8.9210 8.9210 9.8577 9.8577 9.8949 9.8949 11.4478 11.4478 k =-0.2941 0.1815 0.5363 ( 4998 PWs) bands (ev): -13.1612 -13.1612 -13.1604 -13.1604 -11.2733 -11.2733 -11.2722 -11.2722 -10.0350 -10.0350 -10.0310 -10.0310 -4.2793 -4.2793 -4.2679 -4.2679 -2.2015 -2.2015 -2.1978 -2.1978 -0.1711 -0.1711 -0.1518 -0.1518 0.6134 0.6134 0.6355 0.6355 0.7806 0.7806 0.8112 0.8112 2.0592 2.0592 2.0828 2.0828 3.0263 3.0263 3.0353 3.0353 3.2156 3.2156 3.2215 3.2215 4.0375 4.0375 4.0418 4.0418 8.9040 8.9040 8.9193 8.9193 9.9149 9.9149 9.9533 9.9533 11.4329 11.4329 k =-0.3088 0.1905 0.5363 ( 4998 PWs) bands (ev): -13.1505 -13.1505 -13.1497 -13.1497 -11.2947 -11.2947 -11.2936 -11.2936 -10.0341 -10.0341 -10.0303 -10.0303 -4.2386 -4.2386 -4.2273 -4.2273 -2.2335 -2.2335 -2.2299 -2.2299 -0.1460 -0.1460 -0.1272 -0.1272 0.5991 0.5991 0.6148 0.6148 0.8125 0.8125 0.8361 0.8361 2.0275 2.0275 2.0515 2.0515 3.0185 3.0185 3.0268 3.0268 3.2177 3.2177 3.2227 3.2227 4.0204 4.0204 4.0249 4.0249 8.9037 8.9037 8.9178 8.9178 9.9721 9.9721 10.0115 10.0115 11.4146 11.4146 k =-0.3235 0.1996 0.5363 ( 4992 PWs) bands (ev): -13.1400 -13.1400 -13.1392 -13.1392 -11.3154 -11.3154 -11.3144 -11.3144 -10.0334 -10.0334 -10.0298 -10.0298 -4.1980 -4.1980 -4.1869 -4.1869 -2.2655 -2.2655 -2.2621 -2.2621 -0.1205 -0.1205 -0.1021 -0.1021 0.5768 0.5768 0.5901 0.5901 0.8490 0.8490 0.8684 0.8684 1.9946 1.9946 2.0190 2.0190 3.0079 3.0079 3.0156 3.0156 3.2251 3.2251 3.2298 3.2298 4.0021 4.0021 4.0067 4.0067 8.9036 8.9036 8.9165 8.9165 10.0288 10.0288 10.0693 10.0693 11.3930 11.3930 k =-0.3382 0.2087 0.5363 ( 4990 PWs) bands (ev): -13.1298 -13.1298 -13.1290 -13.1290 -11.3352 -11.3352 -11.3343 -11.3343 -10.0328 -10.0328 -10.0294 -10.0294 -4.1579 -4.1579 -4.1470 -4.1470 -2.2973 -2.2973 -2.2940 -2.2940 -0.0946 -0.0946 -0.0766 -0.0766 0.5498 0.5498 0.5634 0.5634 0.8876 0.8876 0.9049 0.9049 1.9611 1.9611 1.9858 1.9858 2.9946 2.9946 3.0019 3.0019 3.2373 3.2373 3.2419 3.2419 3.9830 3.9830 3.9876 3.9876 8.9035 8.9035 8.9153 8.9153 10.0850 10.0850 10.1263 10.1263 11.3680 11.3680 k =-0.3529 0.2178 0.5363 ( 5000 PWs) bands (ev): -13.1200 -13.1200 -13.1193 -13.1193 -11.3540 -11.3540 -11.3532 -11.3532 -10.0323 -10.0323 -10.0292 -10.0292 -4.1186 -4.1186 -4.1081 -4.1081 -2.3285 -2.3285 -2.3253 -2.3253 -0.0685 -0.0685 -0.0508 -0.0508 0.5205 0.5205 0.5353 0.5353 0.9270 0.9270 0.9435 0.9435 1.9275 1.9275 1.9523 1.9523 2.9795 2.9795 2.9864 2.9864 3.2531 3.2531 3.2578 3.2578 3.9631 3.9631 3.9677 3.9677 8.9035 8.9035 8.9142 8.9142 10.1404 10.1404 10.1822 10.1822 11.3399 11.3399 k =-0.3676 0.2268 0.5363 ( 5008 PWs) bands (ev): -13.1107 -13.1107 -13.1100 -13.1100 -11.3715 -11.3715 -11.3708 -11.3708 -10.0319 -10.0319 -10.0290 -10.0290 -4.0805 -4.0805 -4.0706 -4.0706 -2.3588 -2.3588 -2.3557 -2.3557 -0.0422 -0.0422 -0.0246 -0.0246 0.4900 0.4900 0.5061 0.5061 0.9667 0.9667 0.9830 0.9830 1.8942 1.8942 1.9189 1.9189 2.9635 2.9635 2.9699 2.9699 3.2716 3.2716 3.2762 3.2762 3.9428 3.9428 3.9474 3.9474 8.9037 8.9037 8.9132 8.9132 10.1947 10.1947 10.2368 10.2368 11.3092 11.3092 k =-0.3824 0.2359 0.5363 ( 5008 PWs) bands (ev): -13.1020 -13.1020 -13.1013 -13.1013 -11.3877 -11.3877 -11.3871 -11.3871 -10.0315 -10.0315 -10.0290 -10.0290 -4.0442 -4.0442 -4.0349 -4.0349 -2.3879 -2.3879 -2.3848 -2.3848 -0.0156 -0.0156 0.0020 0.0020 0.4589 0.4589 0.4762 0.4762 1.0060 1.0060 1.0223 1.0223 1.8618 1.8618 1.8861 1.8861 2.9473 2.9473 2.9531 2.9531 3.2917 3.2917 3.2962 3.2962 3.9225 3.9225 3.9270 3.9270 8.9039 8.9039 8.9124 8.9124 10.2476 10.2476 10.2896 10.2896 11.2764 11.2764 k =-0.3971 0.2450 0.5363 ( 5016 PWs) bands (ev): -13.0940 -13.0940 -13.0934 -13.0934 -11.4024 -11.4024 -11.4019 -11.4019 -10.0312 -10.0312 -10.0290 -10.0290 -4.0102 -4.0102 -4.0016 -4.0016 -2.4151 -2.4151 -2.4122 -2.4122 0.0112 0.0112 0.0288 0.0288 0.4277 0.4277 0.4458 0.4458 1.0444 1.0444 1.0606 1.0606 1.8305 1.8305 1.8542 1.8542 2.9316 2.9316 2.9367 2.9367 3.3127 3.3127 3.3169 3.3169 3.9024 3.9024 3.9067 3.9067 8.9041 8.9041 8.9115 8.9115 10.2987 10.2987 10.3401 10.3401 11.2425 11.2425 k =-0.4118 0.2540 0.5363 ( 5024 PWs) bands (ev): -13.0868 -13.0868 -13.0863 -13.0863 -11.4155 -11.4155 -11.4150 -11.4150 -10.0310 -10.0310 -10.0291 -10.0291 -3.9789 -3.9789 -3.9712 -3.9712 -2.4402 -2.4402 -2.4375 -2.4375 0.0382 0.0382 0.0559 0.0559 0.3965 0.3965 0.4153 0.4153 1.0811 1.0811 1.0970 1.0970 1.8010 1.8010 1.8235 1.8235 2.9168 2.9168 2.9213 2.9213 3.3335 3.3335 3.3374 3.3374 3.8831 3.8831 3.8871 3.8871 8.9045 8.9045 8.9108 8.9108 10.3476 10.3476 10.3877 10.3877 11.2085 11.2085 k =-0.4265 0.2631 0.5363 ( 5024 PWs) bands (ev): -13.0806 -13.0806 -13.0801 -13.0801 -11.4268 -11.4268 -11.4264 -11.4264 -10.0308 -10.0308 -10.0292 -10.0292 -3.9510 -3.9510 -3.9443 -3.9443 -2.4625 -2.4625 -2.4601 -2.4601 0.0653 0.0653 0.0832 0.0832 0.3655 0.3655 0.3847 0.3847 1.1156 1.1156 1.1307 1.1307 1.7740 1.7740 1.7947 1.7947 2.9036 2.9036 2.9073 2.9073 3.3534 3.3534 3.3570 3.3570 3.8649 3.8649 3.8686 3.8686 8.9048 8.9048 8.9101 8.9101 10.3936 10.3936 10.4313 10.4313 11.1757 11.1757 k =-0.4412 0.2722 0.5363 ( 5028 PWs) bands (ev): -13.0753 -13.0753 -13.0750 -13.0750 -11.4361 -11.4361 -11.4358 -11.4358 -10.0306 -10.0306 -10.0293 -10.0293 -3.9270 -3.9270 -3.9215 -3.9215 -2.4817 -2.4817 -2.4796 -2.4796 0.0927 0.0927 0.1107 0.1107 0.3349 0.3349 0.3544 0.3544 1.1468 1.1468 1.1605 1.1605 1.7501 1.7501 1.7684 1.7684 2.8922 2.8922 2.8952 2.8952 3.3717 3.3717 3.3747 3.3747 3.8486 3.8486 3.8518 3.8518 8.9053 8.9053 8.9095 8.9095 10.4358 10.4358 10.4697 10.4697 11.1457 11.1457 k =-0.4559 0.2813 0.5363 ( 5026 PWs) bands (ev): -13.0712 -13.0712 -13.0709 -13.0709 -11.4435 -11.4435 -11.4433 -11.4433 -10.0305 -10.0305 -10.0295 -10.0295 -3.9075 -3.9075 -3.9033 -3.9033 -2.4971 -2.4971 -2.4954 -2.4954 0.1200 0.1200 0.1381 0.1381 0.3052 0.3052 0.3244 0.3244 1.1737 1.1737 1.1852 1.1852 1.7304 1.7304 1.7454 1.7454 2.8831 2.8831 2.8854 2.8854 3.3873 3.3873 3.3897 3.3897 3.8349 3.8349 3.8374 3.8374 8.9057 8.9057 8.9089 8.9089 10.4730 10.4730 10.5013 10.5013 11.1205 11.1205 k =-0.4706 0.2903 0.5363 ( 5026 PWs) bands (ev): -13.0681 -13.0681 -13.0679 -13.0679 -11.4489 -11.4489 -11.4487 -11.4487 -10.0303 -10.0303 -10.0296 -10.0296 -3.8930 -3.8930 -3.8901 -3.8901 -2.5083 -2.5083 -2.5072 -2.5072 0.1471 0.1471 0.1646 0.1646 0.2770 0.2770 0.2953 0.2953 1.1951 1.1951 1.2034 1.2034 1.7160 1.7160 1.7267 1.7267 2.8764 2.8764 2.8780 2.8780 3.3994 3.3994 3.4011 3.4011 3.8245 3.8245 3.8263 3.8263 8.9062 8.9062 8.9083 8.9083 10.5035 10.5035 10.5242 10.5242 11.1022 11.1022 k =-0.4853 0.2994 0.5363 ( 5034 PWs) bands (ev): -13.0662 -13.0662 -13.0662 -13.0662 -11.4521 -11.4521 -11.4520 -11.4520 -10.0301 -10.0301 -10.0298 -10.0298 -3.8838 -3.8838 -3.8823 -3.8823 -2.5151 -2.5151 -2.5145 -2.5145 0.1728 0.1728 0.1871 0.1871 0.2535 0.2535 0.2683 0.2683 1.2096 1.2096 1.2140 1.2140 1.7081 1.7081 1.7137 1.7137 2.8725 2.8725 2.8733 2.8733 3.4073 3.4073 3.4082 3.4082 3.8181 3.8181 3.8190 3.8190 8.9067 8.9067 8.9077 8.9077 10.5254 10.5254 10.5364 10.5364 11.0929 11.0929 k =-0.5000 0.3085 0.5363 ( 5040 PWs) bands (ev): -13.0656 -13.0656 -13.0656 -13.0656 -11.4531 -11.4531 -11.4531 -11.4531 -10.0300 -10.0300 -10.0300 -10.0300 -3.8802 -3.8802 -3.8802 -3.8802 -2.5172 -2.5172 -2.5172 -2.5172 0.1918 0.1918 0.1918 0.1918 0.2487 0.2487 0.2487 0.2487 1.2161 1.2161 1.2161 1.2161 1.7073 1.7073 1.7073 1.7073 2.8715 2.8715 2.8715 2.8715 3.4103 3.4103 3.4103 3.4103 3.8162 3.8162 3.8162 3.8162 8.9072 8.9072 8.9072 8.9072 10.5368 10.5368 10.5368 10.5368 11.0938 11.0938 Writing output data file Ge2N2O.save init_run : 2.05s CPU 11.42s WALL ( 1 calls) electrons : 1115.99s CPU 1126.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.33s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 1115.94s CPU 1125.95s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.84s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.14s CPU 0.49s WALL ( 1 calls) newd : 0.15s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 354 calls) cegterg : 1030.98s CPU 1037.76s WALL ( 1190 calls) Called by sum_band: Called by *egterg: h_psi : 365.91s CPU 378.11s WALL ( 22391 calls) s_psi : 29.29s CPU 29.91s WALL ( 22391 calls) g_psi : 1.06s CPU 1.06s WALL ( 20847 calls) cdiaghg : 473.21s CPU 468.28s WALL ( 21201 calls) cegterg:over : 85.63s CPU 82.93s WALL ( 20847 calls) cegterg:upda : 20.65s CPU 26.54s WALL ( 20847 calls) cegterg:last : 16.98s CPU 17.87s WALL ( 2605 calls) Called by h_psi: h_psi:vloc : 284.71s CPU 295.13s WALL ( 22391 calls) h_psi:vnl : 80.56s CPU 81.71s WALL ( 22391 calls) add_vuspsi : 23.17s CPU 27.17s WALL ( 22391 calls) General routines calbec : 57.32s CPU 54.42s WALL ( 22391 calls) fft : 0.27s CPU 1.11s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 266.53s CPU 274.66s WALL ( 1689104 calls) interpolate : 0.07s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 3.15s WALL ( 708 calls) Parallel routines fft_scatter : 164.66s CPU 173.49s WALL ( 1689127 calls) PWSCF : 19m58.67s CPU 28m 7.98s WALL This run was terminated on: 17:41:42 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=